2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carbaldehyde;methyl (2S)-2-formamidopropanoate;propane

C37H77N7O7 — CID 144975201

About 2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carbaldehyde;methyl (2S)-2-formamidopropanoate;propane

2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carbaldehyde;methyl (2S)-2-formamidopropanoate;propane (PubChem CID 144975201) has the molecular formula C37H77N7O7 and a molecular weight of 732.06 g/mol. Its IUPAC name is 2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carbaldehyde;methyl (2S)-2-formamidopropanoate;propane.

Molecular Properties

• Compound Name: 2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carbaldehyde;methyl (2S)-2-formamidopropanoate;propane
• PubChem CID: 144975201
• Molecular Formula: C37H77N7O7
• Molecular Weight: 732.06 g/mol
• Exact Mass: 731.59
• IUPAC Name: 2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carbaldehyde;methyl (2S)-2-formamidopropanoate;propane
• SMILES: CCC.CCC(C)C(C(CC)OC)N(C)C(=O)C/N=C(\N(C)C)N(C)CCNC.COC(=O)[C@H](C)NC=O.COC(C(C)C)C1CCCN1C=O
• InChI: InChI=1S/C19H41N5O2.C10H19NO2.C5H9NO3.C3H8/c1-10-15(3)18(16(11-2)26-9)24(8)17(25)14-21-19(22(5)6)23(7)13-12-20-4;1-8(2)10(13-3)9-5-4-6-11(9)7-12;1-4(6-3-7)5(8)9-2;1-3-2/h15-16,18,20H,10-14H2,1-9H3;7-10H,4-6H2,1-3H3;3-4H,1-2H3,(H,6,7);3H2,1-2H3/b21-19+;;;/t;;4-;/m..0./s1
• InChIKey: VKXHBZFELNHJIZ-PHFUOIKXSA-N
• XLogP: 3.34
• TPSA: 145.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	732.06
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carbaldehyde;methyl (2S)-2-formamidopropanoate;propane?

The IUPAC name of 2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carbaldehyde;methyl (2S)-2-formamidopropanoate;propane (CID 144975201) is 2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carbaldehyde;methyl (2S)-2-formamidopropanoate;propane.

What is the SMILES notation for 2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carbaldehyde;methyl (2S)-2-formamidopropanoate;propane?

The canonical SMILES for 2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carbaldehyde;methyl (2S)-2-formamidopropanoate;propane is CCC.CCC(C)C(C(CC)OC)N(C)C(=O)C/N=C(\N(C)C)N(C)CCNC.COC(=O)[C@H](C)NC=O.COC(C(C)C)C1CCCN1C=O.

What is the InChIKey of 2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carbaldehyde;methyl (2S)-2-formamidopropanoate;propane?

The InChIKey is VKXHBZFELNHJIZ-PHFUOIKXSA-N. The full InChI is InChI=1S/C19H41N5O2.C10H19NO2.C5H9NO3.C3H8/c1-10-15(3)18(16(11-2)26-9)24(8)17(25)14-21-19(22(5)6)23(7)13-12-20-4;1-8(2)10(13-3)9-5-4-6-11(9)7-12;1-4(6-3-7)5(8)9-2;1-3-2/h15-16,18,20H,10-14H2,1-9H3;7-10H,4-6H2,1-3H3;3-4H,1-2H3,(H,6,7);3H2,1-2H3/b21-19+;;;/t;;4-;/m..0./s1.

What are the key properties of 2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carbaldehyde;methyl (2S)-2-formamidopropanoate;propane?

2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carbaldehyde;methyl (2S)-2-formamidopropanoate;propane has a molecular weight of 732.06 g/mol, XLogP of 3.34, 18 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carbaldehyde;methyl (2S)-2-formamidopropanoate;propane is sourced from PubChem (CID 144975201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).