4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine

C16H34N2 — CID 62412162

IUPAC4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine
SMILESCC(C)CNCCCC(C)N(CC1CC1)C(C)C
InChIInChI=1S/C16H34N2/c1-13(2)11-17-10-6-7-15(5)18(14(3)4)12-16-8-9-16/h13-17H,6-12H2,1-5H3
InChIKeyJOKCLWHSRKZFLO-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds10

About 4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine

4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine (PubChem CID 62412162) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine
PubChem CID62412162
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine
SMILESCC(C)CNCCCC(C)N(CC1CC1)C(C)C
InChIInChI=1S/C16H34N2/c1-13(2)11-17-10-6-7-15(5)18(14(3)4)12-16-8-9-16/h13-17H,6-12H2,1-5H3
InChIKeyJOKCLWHSRKZFLO-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine
CID 62412165
4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62411804
2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62568200
N'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62413388
2-N-(cyclopropylmethyl)-1-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62411973
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine
CID 62421816
4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62419355
4-N-methyl-1-N-(2-methylpropyl)-4-N-(thiolan-3-yl)pentane-1,4-diamine
CID 62422983
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63940650
N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62854578
4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine
CID 115505891

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine (CID 62412162) is 4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine is CC(C)CNCCCC(C)N(CC1CC1)C(C)C.
What is the InChIKey of 4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine?
The InChIKey is JOKCLWHSRKZFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-13(2)11-17-10-6-7-15(5)18(14(3)4)12-16-8-9-16/h13-17H,6-12H2,1-5H3.
What are the key properties of 4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine?
4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine is sourced from PubChem (CID 62412162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).