[4-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine

C16H27NO — CID 63523043

IUPAC[4-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine
SMILESCCCCC1CCC(CN)(Cc2ccco2)CC1
InChIInChI=1S/C16H27NO/c1-2-3-5-14-7-9-16(13-17,10-8-14)12-15-6-4-11-18-15/h4,6,11,14H,2-3,5,7-10,12-13,17H2,1H3
InChIKeyWQZGXFZRNPNLBM-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.15
Rot. Bonds6

About [4-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine

[4-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine (PubChem CID 63523043) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is [4-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine
PubChem CID63523043
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name[4-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine
SMILESCCCCC1CCC(CN)(Cc2ccco2)CC1
InChIInChI=1S/C16H27NO/c1-2-3-5-14-7-9-16(13-17,10-8-14)12-15-6-4-11-18-15/h4,6,11,14H,2-3,5,7-10,12-13,17H2,1H3
InChIKeyWQZGXFZRNPNLBM-UHFFFAOYSA-N
XLogP4.15
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine?
The IUPAC name of [4-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine (CID 63523043) is [4-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine?
The canonical SMILES for [4-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine is CCCCC1CCC(CN)(Cc2ccco2)CC1.
What is the InChIKey of [4-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine?
The InChIKey is WQZGXFZRNPNLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-3-5-14-7-9-16(13-17,10-8-14)12-15-6-4-11-18-15/h4,6,11,14H,2-3,5,7-10,12-13,17H2,1H3.
What are the key properties of [4-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine?
[4-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine has a molecular weight of 249.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine is sourced from PubChem (CID 63523043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).