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

C16H34N2 — CID 82017292

IUPAC2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine
SMILESCC(C)CC1(CNCCCC(C)CN)CCCC1
InChIInChI=1S/C16H34N2/c1-14(2)11-16(8-4-5-9-16)13-18-10-6-7-15(3)12-17/h14-15,18H,4-13,17H2,1-3H3
InChIKeyMTHVXHROYLNGAN-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.56
Rot. Bonds9

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

2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine (PubChem CID 82017292) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine.

Molecular Properties

Compound Name2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine
PubChem CID82017292
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine
SMILESCC(C)CC1(CNCCCC(C)CN)CCCC1
InChIInChI=1S/C16H34N2/c1-14(2)11-16(8-4-5-9-16)13-18-10-6-7-15(3)12-17/h14-15,18H,4-13,17H2,1-3H3
InChIKeyMTHVXHROYLNGAN-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]butane-1,4-diamine
CID 81080504
N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine
CID 167274692
[1-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]cyclobutyl]methanamine
CID 113311851
N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine
CID 107815647
tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate
CID 103821958
5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine
CID 81101419
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine
CID 115453956
N-[[1-(2-methylpentyl)cyclobutyl]methyl]propan-1-amine
CID 65194997
5-amino-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentanamide
CID 104685343
N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine
CID 83167921
1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 114269796
3-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]propanamide
CID 119326669

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine?
The IUPAC name of 2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine (CID 82017292) is 2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine.
What is the SMILES notation for 2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine?
The canonical SMILES for 2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine is CC(C)CC1(CNCCCC(C)CN)CCCC1.
What is the InChIKey of 2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine?
The InChIKey is MTHVXHROYLNGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-14(2)11-16(8-4-5-9-16)13-18-10-6-7-15(3)12-17/h14-15,18H,4-13,17H2,1-3H3.
What are the key properties of 2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine?
2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine is sourced from PubChem (CID 82017292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).