5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine

C16H34N2O — CID 81101419

IUPAC5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine
SMILESCOCCCC(N)CNCC1(CC(C)C)CCCC1
InChIInChI=1S/C16H34N2O/c1-14(2)11-16(8-4-5-9-16)13-18-12-15(17)7-6-10-19-3/h14-15,18H,4-13,17H2,1-3H3
InChIKeyIHVUJZMUMNXPNP-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.94
Rot. Bonds10

About 5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine

5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine (PubChem CID 81101419) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine
PubChem CID81101419
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine
SMILESCOCCCC(N)CNCC1(CC(C)C)CCCC1
InChIInChI=1S/C16H34N2O/c1-14(2)11-16(8-4-5-9-16)13-18-12-15(17)7-6-10-19-3/h14-15,18H,4-13,17H2,1-3H3
InChIKeyIHVUJZMUMNXPNP-UHFFFAOYSA-N
XLogP2.94
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate
CID 114281374
5-methoxy-1-N-(1-methylcyclopentyl)pentane-1,2-diamine
CID 81102527
[4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butyl]hydrazine
CID 105342541
ethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate
CID 114281375
[1-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]cyclobutyl]methanamine
CID 113311851
4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol
CID 115839615
2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine
CID 82017292
2-ethyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]butane-1,4-diamine
CID 81080504
N-[[1-[[2-methoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 62260034
5-methoxy-1-N-octylpentane-1,2-diamine
CID 113337399
3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile
CID 103367397
N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine
CID 167274692

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine?
The IUPAC name of 5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine (CID 81101419) is 5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine.
What is the SMILES notation for 5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine?
The canonical SMILES for 5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine is COCCCC(N)CNCC1(CC(C)C)CCCC1.
What is the InChIKey of 5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine?
The InChIKey is IHVUJZMUMNXPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-14(2)11-16(8-4-5-9-16)13-18-12-15(17)7-6-10-19-3/h14-15,18H,4-13,17H2,1-3H3.
What are the key properties of 5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine?
5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine is sourced from PubChem (CID 81101419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).