(4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine

C17H29NO — CID 63502788

IUPAC(4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCCCCC1CCC(C(N)c2cc(C)oc2C)CC1
InChIInChI=1S/C17H29NO/c1-4-5-6-14-7-9-15(10-8-14)17(18)16-11-12(2)19-13(16)3/h11,14-15,17H,4-10,18H2,1-3H3
InChIKeyJMGAKWWWAVRNEW-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.89
Rot. Bonds5

About (4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine

(4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine (PubChem CID 63502788) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine
PubChem CID63502788
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name(4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCCCCC1CCC(C(N)c2cc(C)oc2C)CC1
InChIInChI=1S/C17H29NO/c1-4-5-6-14-7-9-15(10-8-14)17(18)16-11-12(2)19-13(16)3/h11,14-15,17H,4-10,18H2,1-3H3
InChIKeyJMGAKWWWAVRNEW-UHFFFAOYSA-N
XLogP4.89
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine
CID 63503968
(4-butylcyclohexyl)-(2,5-difluorophenyl)methanamine
CID 43100104
(4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299288
(4-butylcyclohexyl)-(2-fluorophenyl)methanamine
CID 115827979
(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine
CID 105010652
(4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine
CID 115861911
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185
(4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine
CID 115854740
1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine
CID 115846874
(4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine
CID 105038676
(2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine
CID 65423953
(4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 43464336

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine?
The IUPAC name of (4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine (CID 63502788) is (4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine.
What is the SMILES notation for (4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine?
The canonical SMILES for (4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine is CCCCC1CCC(C(N)c2cc(C)oc2C)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine?
The InChIKey is JMGAKWWWAVRNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-5-6-14-7-9-15(10-8-14)17(18)16-11-12(2)19-13(16)3/h11,14-15,17H,4-10,18H2,1-3H3.
What are the key properties of (4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine?
(4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine has a molecular weight of 263.42 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine is sourced from PubChem (CID 63502788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).