1-(aminomethyl)-N-cyclopentyl-N-methylcyclododecan-1-amine

C19H38N2 — CID 43267048

IUPAC1-(aminomethyl)-N-cyclopentyl-N-methylcyclododecan-1-amine
SMILESCN(C1CCCC1)C1(CN)CCCCCCCCCCC1
InChIInChI=1S/C19H38N2/c1-21(18-13-9-10-14-18)19(17-20)15-11-7-5-3-2-4-6-8-12-16-19/h18H,2-17,20H2,1H3
InChIKeyVLPSCIWCARVLCE-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.86
Rot. Bonds3

About 1-(aminomethyl)-N-cyclopentyl-N-methylcyclododecan-1-amine

1-(aminomethyl)-N-cyclopentyl-N-methylcyclododecan-1-amine (PubChem CID 43267048) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopentyl-N-methylcyclododecan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopentyl-N-methylcyclododecan-1-amine
PubChem CID43267048
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-(aminomethyl)-N-cyclopentyl-N-methylcyclododecan-1-amine
SMILESCN(C1CCCC1)C1(CN)CCCCCCCCCCC1
InChIInChI=1S/C19H38N2/c1-21(18-13-9-10-14-18)19(17-20)15-11-7-5-3-2-4-6-8-12-16-19/h18H,2-17,20H2,1H3
InChIKeyVLPSCIWCARVLCE-UHFFFAOYSA-N
XLogP4.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopentyl-N-methylcyclododecan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopentyl-N-methylcyclododecan-1-amine (CID 43267048) is 1-(aminomethyl)-N-cyclopentyl-N-methylcyclododecan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopentyl-N-methylcyclododecan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopentyl-N-methylcyclododecan-1-amine is CN(C1CCCC1)C1(CN)CCCCCCCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopentyl-N-methylcyclododecan-1-amine?
The InChIKey is VLPSCIWCARVLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-21(18-13-9-10-14-18)19(17-20)15-11-7-5-3-2-4-6-8-12-16-19/h18H,2-17,20H2,1H3.
What are the key properties of 1-(aminomethyl)-N-cyclopentyl-N-methylcyclododecan-1-amine?
1-(aminomethyl)-N-cyclopentyl-N-methylcyclododecan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclopentyl-N-methylcyclododecan-1-amine is sourced from PubChem (CID 43267048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).