N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine

C18H38N2 — CID 104678976

IUPACN-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine
SMILESCCC(CC)N(CCC1(CN)CCCCC1)CC(C)C
InChIInChI=1S/C18H38N2/c1-5-17(6-2)20(14-16(3)4)13-12-18(15-19)10-8-7-9-11-18/h16-17H,5-15,19H2,1-4H3
InChIKeyJJGNUIAYYUKTJP-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.43
Rot. Bonds9

About N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine

N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine (PubChem CID 104678976) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine.

Molecular Properties

Compound NameN-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine
PubChem CID104678976
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine
SMILESCCC(CC)N(CCC1(CN)CCCCC1)CC(C)C
InChIInChI=1S/C18H38N2/c1-5-17(6-2)20(14-16(3)4)13-12-18(15-19)10-8-7-9-11-18/h16-17H,5-15,19H2,1-4H3
InChIKeyJJGNUIAYYUKTJP-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine?
The IUPAC name of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine (CID 104678976) is N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine.
What is the SMILES notation for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine?
The canonical SMILES for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine is CCC(CC)N(CCC1(CN)CCCCC1)CC(C)C.
What is the InChIKey of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine?
The InChIKey is JJGNUIAYYUKTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-17(6-2)20(14-16(3)4)13-12-18(15-19)10-8-7-9-11-18/h16-17H,5-15,19H2,1-4H3.
What are the key properties of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine?
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine has a molecular weight of 282.52 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine is sourced from PubChem (CID 104678976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).