4-(2-aminoethyl)-N-(4-methylheptan-4-yl)cyclohexan-1-amine

C16H34N2 — CID 175630753

IUPAC4-(2-aminoethyl)-N-(4-methylheptan-4-yl)cyclohexan-1-amine
SMILESCCCC(C)(CCC)NC1CCC(CCN)CC1
InChIInChI=1S/C16H34N2/c1-4-11-16(3,12-5-2)18-15-8-6-14(7-9-15)10-13-17/h14-15,18H,4-13,17H2,1-3H3
InChIKeyJPWMNMXJTZBAND-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.84
Rot. Bonds8

About 4-(2-aminoethyl)-N-(4-methylheptan-4-yl)cyclohexan-1-amine

4-(2-aminoethyl)-N-(4-methylheptan-4-yl)cyclohexan-1-amine (PubChem CID 175630753) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(4-methylheptan-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(4-methylheptan-4-yl)cyclohexan-1-amine
PubChem CID175630753
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name4-(2-aminoethyl)-N-(4-methylheptan-4-yl)cyclohexan-1-amine
SMILESCCCC(C)(CCC)NC1CCC(CCN)CC1
InChIInChI=1S/C16H34N2/c1-4-11-16(3,12-5-2)18-15-8-6-14(7-9-15)10-13-17/h14-15,18H,4-13,17H2,1-3H3
InChIKeyJPWMNMXJTZBAND-UHFFFAOYSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(4-methylheptan-4-yl)cyclohexan-1-amine?
The IUPAC name of 4-(2-aminoethyl)-N-(4-methylheptan-4-yl)cyclohexan-1-amine (CID 175630753) is 4-(2-aminoethyl)-N-(4-methylheptan-4-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N-(4-methylheptan-4-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-aminoethyl)-N-(4-methylheptan-4-yl)cyclohexan-1-amine is CCCC(C)(CCC)NC1CCC(CCN)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-(4-methylheptan-4-yl)cyclohexan-1-amine?
The InChIKey is JPWMNMXJTZBAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-11-16(3,12-5-2)18-15-8-6-14(7-9-15)10-13-17/h14-15,18H,4-13,17H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-N-(4-methylheptan-4-yl)cyclohexan-1-amine?
4-(2-aminoethyl)-N-(4-methylheptan-4-yl)cyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(4-methylheptan-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 175630753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).