1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine

C16H34N2O — CID 62449357

IUPAC1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine
SMILESCCC(CC)N(CCOC)C(C)CCCNC1CC1
InChIInChI=1S/C16H34N2O/c1-5-16(6-2)18(12-13-19-4)14(3)8-7-11-17-15-9-10-15/h14-17H,5-13H2,1-4H3
InChIKeyGLQGYUBNKAFKPF-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.04
Rot. Bonds12

About 1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine

1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine (PubChem CID 62449357) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine
PubChem CID62449357
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine
SMILESCCC(CC)N(CCOC)C(C)CCCNC1CC1
InChIInChI=1S/C16H34N2O/c1-5-16(6-2)18(12-13-19-4)14(3)8-7-11-17-15-9-10-15/h14-17H,5-13H2,1-4H3
InChIKeyGLQGYUBNKAFKPF-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine
CID 55072403
1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine
CID 62462661
N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 62562576
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine
CID 62448035
3-(cyclopropylamino)-N-(2-methoxyethyl)-N-pentan-3-ylpropanamide
CID 54871842
1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
CID 62418784
N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine
CID 62440729
N-(4-methylhexyl)cyclopropanamine
CID 62529631
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine
CID 62448202
4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine
CID 82952231
2-N-butan-2-yl-1-N-cyclopentyl-2-N-(2-methoxyethyl)propane-1,2-diamine
CID 62570553
3-(cyclopropylamino)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)propanamide
CID 55005245

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine?
The IUPAC name of 1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine (CID 62449357) is 1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine.
What is the SMILES notation for 1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine?
The canonical SMILES for 1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine is CCC(CC)N(CCOC)C(C)CCCNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine?
The InChIKey is GLQGYUBNKAFKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-16(6-2)18(12-13-19-4)14(3)8-7-11-17-15-9-10-15/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine?
1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine has a molecular weight of 270.46 g/mol, XLogP of 3.04, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine is sourced from PubChem (CID 62449357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).