1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine

C19H40N2 — CID 63467204

IUPAC1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine
SMILESCN(CC(C)(C)C)C1(CN)CCCCCCCCCCC1
InChIInChI=1S/C19H40N2/c1-18(2,3)17-21(4)19(16-20)14-12-10-8-6-5-7-9-11-13-15-19/h5-17,20H2,1-4H3
InChIKeyBYGUOVCCWPIFTI-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.97
Rot. Bonds3

About 1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine

1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine (PubChem CID 63467204) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine
PubChem CID63467204
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine
SMILESCN(CC(C)(C)C)C1(CN)CCCCCCCCCCC1
InChIInChI=1S/C19H40N2/c1-18(2,3)17-21(4)19(16-20)14-12-10-8-6-5-7-9-11-13-15-19/h5-17,20H2,1-4H3
InChIKeyBYGUOVCCWPIFTI-UHFFFAOYSA-N
XLogP4.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine (CID 63467204) is 1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine is CN(CC(C)(C)C)C1(CN)CCCCCCCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine?
The InChIKey is BYGUOVCCWPIFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-18(2,3)17-21(4)19(16-20)14-12-10-8-6-5-7-9-11-13-15-19/h5-17,20H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine?
1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine is sourced from PubChem (CID 63467204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).