2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C18H38IN5O2 — CID 111364860

IUPAC2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCCCN/C(=N\CC(=O)N(C)C)NCC(C(C)C)N1CCOCC1.I
InChIInChI=1S/C18H37N5O2.HI/c1-6-7-8-19-18(21-14-17(24)22(4)5)20-13-16(15(2)3)23-9-11-25-12-10-23;/h15-16H,6-14H2,1-5H3,(H2,19,20,21);1H
InChIKeyBDPOGZMNZHLWOF-UHFFFAOYSA-N
MW483.44 g/mol
LogP1.38
Rot. Bonds9

About 2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111364860) has the molecular formula C18H38IN5O2 and a molecular weight of 483.44 g/mol. Its IUPAC name is 2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111364860
Molecular FormulaC18H38IN5O2
Molecular Weight483.44 g/mol
Exact Mass483.21
IUPAC Name2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCCCN/C(=N\CC(=O)N(C)C)NCC(C(C)C)N1CCOCC1.I
InChIInChI=1S/C18H37N5O2.HI/c1-6-7-8-19-18(21-14-17(24)22(4)5)20-13-16(15(2)3)23-9-11-25-12-10-23;/h15-16H,6-14H2,1-5H3,(H2,19,20,21);1H
InChIKeyBDPOGZMNZHLWOF-UHFFFAOYSA-N
XLogP1.38
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111364861
N,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 111364129
2-[[butylamino-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111309201
2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111931131
2-[[butylamino-[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111966397
2-[[butylamino-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111309202
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-pentylguanidine;hydroiodide
CID 111129208
2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111161106
N-butyl-4-[[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]methyl]benzamide
CID 111931028
2-[[butylamino-(4-methylpentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364190
2-[[(3-butoxypropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111769876
2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111150712

Frequently Asked Questions

What is the IUPAC name of 2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111364860) is 2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCCCN/C(=N\CC(=O)N(C)C)NCC(C(C)C)N1CCOCC1.I.
What is the InChIKey of 2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is BDPOGZMNZHLWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5O2.HI/c1-6-7-8-19-18(21-14-17(24)22(4)5)20-13-16(15(2)3)23-9-11-25-12-10-23;/h15-16H,6-14H2,1-5H3,(H2,19,20,21);1H.
What are the key properties of 2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 483.44 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111364860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).