N-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine

C16H34N2 — CID 104678802

IUPACN-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCC1(CN)CCCCC1
InChIInChI=1S/C16H34N2/c1-3-4-6-9-15(2)18-13-12-16(14-17)10-7-5-8-11-16/h15,18H,3-14,17H2,1-2H3
InChIKeyJDHNKMXDEGZALC-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.84
Rot. Bonds9

About N-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine

N-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine (PubChem CID 104678802) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine.

Molecular Properties

Compound NameN-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine
PubChem CID104678802
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCC1(CN)CCCCC1
InChIInChI=1S/C16H34N2/c1-3-4-6-9-15(2)18-13-12-16(14-17)10-7-5-8-11-16/h15,18H,3-14,17H2,1-2H3
InChIKeyJDHNKMXDEGZALC-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
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

(1-pentylcyclopentyl)methanamine
CID 62725889
(2R)-N-(2-fluoroethyl)heptan-2-amine
CID 124512751
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-propylnonan-2-amine
CID 43129664
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
N'-dodecan-2-ylpentane-1,5-diamine
CID 175187271
2-[1-(aminomethyl)cyclohexyl]-N-(dicyclopropylmethyl)ethanamine
CID 104678804
1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine
CID 62200817
[1-(4-methylpentyl)cyclopentyl]methanamine
CID 83169041

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine?
The IUPAC name of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine (CID 104678802) is N-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine.
What is the SMILES notation for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine?
The canonical SMILES for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine is CCCCCC(C)NCCC1(CN)CCCCC1.
What is the InChIKey of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine?
The InChIKey is JDHNKMXDEGZALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-3-4-6-9-15(2)18-13-12-16(14-17)10-7-5-8-11-16/h15,18H,3-14,17H2,1-2H3.
What are the key properties of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine?
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine is sourced from PubChem (CID 104678802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).