1,2-dibutylcyclohexan-1-amine

C14H29N — CID 18400257

IUPAC1,2-dibutylcyclohexan-1-amine
SMILESCCCCC1CCCCC1(N)CCCC
InChIInChI=1S/C14H29N/c1-3-5-9-13-10-7-8-12-14(13,15)11-6-4-2/h13H,3-12,15H2,1-2H3
InChIKeyPCJNNXLLSHIFSM-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.25
Rot. Bonds6

About 1,2-dibutylcyclohexan-1-amine

1,2-dibutylcyclohexan-1-amine (PubChem CID 18400257) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1,2-dibutylcyclohexan-1-amine.

Molecular Properties

Compound Name1,2-dibutylcyclohexan-1-amine
PubChem CID18400257
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1,2-dibutylcyclohexan-1-amine
SMILESCCCCC1CCCCC1(N)CCCC
InChIInChI=1S/C14H29N/c1-3-5-9-13-10-7-8-12-14(13,15)11-6-4-2/h13H,3-12,15H2,1-2H3
InChIKeyPCJNNXLLSHIFSM-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibutylcyclohexan-1-amine?
The IUPAC name of 1,2-dibutylcyclohexan-1-amine (CID 18400257) is 1,2-dibutylcyclohexan-1-amine.
What is the SMILES notation for 1,2-dibutylcyclohexan-1-amine?
The canonical SMILES for 1,2-dibutylcyclohexan-1-amine is CCCCC1CCCCC1(N)CCCC.
What is the InChIKey of 1,2-dibutylcyclohexan-1-amine?
The InChIKey is PCJNNXLLSHIFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-3-5-9-13-10-7-8-12-14(13,15)11-6-4-2/h13H,3-12,15H2,1-2H3.
What are the key properties of 1,2-dibutylcyclohexan-1-amine?
1,2-dibutylcyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutylcyclohexan-1-amine is sourced from PubChem (CID 18400257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).