1,2,2-tributylcyclohexan-1-amine

C18H37N — CID 18781511

IUPAC1,2,2-tributylcyclohexan-1-amine
SMILESCCCCC1(N)CCCCC1(CCCC)CCCC
InChIInChI=1S/C18H37N/c1-4-7-12-17(13-8-5-2)14-10-11-16-18(17,19)15-9-6-3/h4-16,19H2,1-3H3
InChIKeyBQHMYOZIBCPAKK-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.81
Rot. Bonds9

About 1,2,2-tributylcyclohexan-1-amine

1,2,2-tributylcyclohexan-1-amine (PubChem CID 18781511) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 1,2,2-tributylcyclohexan-1-amine.

Molecular Properties

Compound Name1,2,2-tributylcyclohexan-1-amine
PubChem CID18781511
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name1,2,2-tributylcyclohexan-1-amine
SMILESCCCCC1(N)CCCCC1(CCCC)CCCC
InChIInChI=1S/C18H37N/c1-4-7-12-17(13-8-5-2)14-10-11-16-18(17,19)15-9-6-3/h4-16,19H2,1-3H3
InChIKeyBQHMYOZIBCPAKK-UHFFFAOYSA-N
XLogP5.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-tributylcyclohexan-1-amine?
The IUPAC name of 1,2,2-tributylcyclohexan-1-amine (CID 18781511) is 1,2,2-tributylcyclohexan-1-amine.
What is the SMILES notation for 1,2,2-tributylcyclohexan-1-amine?
The canonical SMILES for 1,2,2-tributylcyclohexan-1-amine is CCCCC1(N)CCCCC1(CCCC)CCCC.
What is the InChIKey of 1,2,2-tributylcyclohexan-1-amine?
The InChIKey is BQHMYOZIBCPAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-4-7-12-17(13-8-5-2)14-10-11-16-18(17,19)15-9-6-3/h4-16,19H2,1-3H3.
What are the key properties of 1,2,2-tributylcyclohexan-1-amine?
1,2,2-tributylcyclohexan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.81, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-tributylcyclohexan-1-amine is sourced from PubChem (CID 18781511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).