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

C16H34N2 — CID 43263256

IUPAC1-(aminomethyl)-N-ethyl-N-methylcyclododecan-1-amine
SMILESCCN(C)C1(CN)CCCCCCCCCCC1
InChIInChI=1S/C16H34N2/c1-3-18(2)16(15-17)13-11-9-7-5-4-6-8-10-12-14-16/h3-15,17H2,1-2H3
InChIKeyCKKXGJYMUHZNQY-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.94
Rot. Bonds3

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

1-(aminomethyl)-N-ethyl-N-methylcyclododecan-1-amine (PubChem CID 43263256) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-methylcyclododecan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-methylcyclododecan-1-amine
PubChem CID43263256
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(aminomethyl)-N-ethyl-N-methylcyclododecan-1-amine
SMILESCCN(C)C1(CN)CCCCCCCCCCC1
InChIInChI=1S/C16H34N2/c1-3-18(2)16(15-17)13-11-9-7-5-4-6-8-10-12-14-16/h3-15,17H2,1-2H3
InChIKeyCKKXGJYMUHZNQY-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-methylcyclododecan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-methylcyclododecan-1-amine (CID 43263256) is 1-(aminomethyl)-N-ethyl-N-methylcyclododecan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-methylcyclododecan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-methylcyclododecan-1-amine is CCN(C)C1(CN)CCCCCCCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-methylcyclododecan-1-amine?
The InChIKey is CKKXGJYMUHZNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-3-18(2)16(15-17)13-11-9-7-5-4-6-8-10-12-14-16/h3-15,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-methylcyclododecan-1-amine?
1-(aminomethyl)-N-ethyl-N-methylcyclododecan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-methylcyclododecan-1-amine is sourced from PubChem (CID 43263256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).