(4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine

C16H27NO — CID 63503968

IUPAC(4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine
SMILESCCCCC1CCC(C(N)c2ccc(C)o2)CC1
InChIInChI=1S/C16H27NO/c1-3-4-5-13-7-9-14(10-8-13)16(17)15-11-6-12(2)18-15/h6,11,13-14,16H,3-5,7-10,17H2,1-2H3
InChIKeyLFPVZOFGMPLNLX-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.58
Rot. Bonds5

About (4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine

(4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine (PubChem CID 63503968) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine
PubChem CID63503968
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine
SMILESCCCCC1CCC(C(N)c2ccc(C)o2)CC1
InChIInChI=1S/C16H27NO/c1-3-4-5-13-7-9-14(10-8-13)16(17)15-11-6-12(2)18-15/h6,11,13-14,16H,3-5,7-10,17H2,1-2H3
InChIKeyLFPVZOFGMPLNLX-UHFFFAOYSA-N
XLogP4.58
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 63502788
(4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine
CID 115854740
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185
(4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299288
(4-butylcyclohexyl)-(2-fluorophenyl)methanamine
CID 115827979
(4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine
CID 115861911
(4-butylcyclohexyl)-(2,5-difluorophenyl)methanamine
CID 43100104
(3-bromo-2,6-difluorophenyl)-(4-butylcyclohexyl)methanamine
CID 106944640
(4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine
CID 105038676
1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine
CID 63528058
(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine
CID 105010652
(3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine
CID 104991972

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine?
The IUPAC name of (4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine (CID 63503968) is (4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for (4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for (4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine is CCCCC1CCC(C(N)c2ccc(C)o2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine?
The InChIKey is LFPVZOFGMPLNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-4-5-13-7-9-14(10-8-13)16(17)15-11-6-12(2)18-15/h6,11,13-14,16H,3-5,7-10,17H2,1-2H3.
What are the key properties of (4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine?
(4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine has a molecular weight of 249.40 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 63503968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).