1-butyl-N-ethylcyclohexan-1-amine

C12H25N — CID 581106

IUPAC1-butyl-N-ethylcyclohexan-1-amine
SMILESCCCCC1(NCC)CCCCC1
InChIInChI=1S/C12H25N/c1-3-5-9-12(13-4-2)10-7-6-8-11-12/h13H,3-11H2,1-2H3
InChIKeyDLMWIWFYPRLHLO-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.49
Rot. Bonds5

About 1-butyl-N-ethylcyclohexan-1-amine

1-butyl-N-ethylcyclohexan-1-amine (PubChem CID 581106) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-butyl-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-butyl-N-ethylcyclohexan-1-amine
PubChem CID581106
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-butyl-N-ethylcyclohexan-1-amine
SMILESCCCCC1(NCC)CCCCC1
InChIInChI=1S/C12H25N/c1-3-5-9-12(13-4-2)10-7-6-8-11-12/h13H,3-11H2,1-2H3
InChIKeyDLMWIWFYPRLHLO-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-ethylcyclohexan-1-amine?
The IUPAC name of 1-butyl-N-ethylcyclohexan-1-amine (CID 581106) is 1-butyl-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-butyl-N-ethylcyclohexan-1-amine?
The canonical SMILES for 1-butyl-N-ethylcyclohexan-1-amine is CCCCC1(NCC)CCCCC1.
What is the InChIKey of 1-butyl-N-ethylcyclohexan-1-amine?
The InChIKey is DLMWIWFYPRLHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-3-5-9-12(13-4-2)10-7-6-8-11-12/h13H,3-11H2,1-2H3.
What are the key properties of 1-butyl-N-ethylcyclohexan-1-amine?
1-butyl-N-ethylcyclohexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 581106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).