2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine

C15H34N2O2 — CID 62436501

IUPAC2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(C(C)C)N(CCCOC)CCOC
InChIInChI=1S/C15H34N2O2/c1-6-8-16-13-15(14(2)3)17(10-12-19-5)9-7-11-18-4/h14-16H,6-13H2,1-5H3
InChIKeyMVIAAHJROGKNIJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP2.00
Rot. Bonds13

About 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine

2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine (PubChem CID 62436501) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine
PubChem CID62436501
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Name2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(C(C)C)N(CCCOC)CCOC
InChIInChI=1S/C15H34N2O2/c1-6-8-16-13-15(14(2)3)17(10-12-19-5)9-7-11-18-4/h14-16H,6-13H2,1-5H3
InChIKeyMVIAAHJROGKNIJ-UHFFFAOYSA-N
XLogP2.00
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine
CID 82952256
2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine
CID 62461602
3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine
CID 79409379
N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62462963
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol
CID 54985437
1-[3-methoxypropyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 62983589
3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226294
4-N-(2-methoxyethyl)-4-N-propan-2-yl-1-N-propylpentane-1,4-diamine
CID 82952481
1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569030
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-propylpentane-1,5-diamine
CID 62435798
2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine
CID 103183296

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine (CID 62436501) is 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine is CCCNCC(C(C)C)N(CCCOC)CCOC.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine?
The InChIKey is MVIAAHJROGKNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2/c1-6-8-16-13-15(14(2)3)17(10-12-19-5)9-7-11-18-4/h14-16H,6-13H2,1-5H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine?
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 2.00, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62436501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).