(3-ethylcyclohexyl)-(3-methylfuran-2-yl)methanamine

C14H23NO — CID 104804511

IUPAC(3-ethylcyclohexyl)-(3-methylfuran-2-yl)methanamine
SMILESCCC1CCCC(C(N)c2occc2C)C1
InChIInChI=1S/C14H23NO/c1-3-11-5-4-6-12(9-11)13(15)14-10(2)7-8-16-14/h7-8,11-13H,3-6,9,15H2,1-2H3
InChIKeyFQVLURXQODTDBT-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.80
Rot. Bonds3

About (3-ethylcyclohexyl)-(3-methylfuran-2-yl)methanamine

(3-ethylcyclohexyl)-(3-methylfuran-2-yl)methanamine (PubChem CID 104804511) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(3-methylfuran-2-yl)methanamine
PubChem CID104804511
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(3-ethylcyclohexyl)-(3-methylfuran-2-yl)methanamine
SMILESCCC1CCCC(C(N)c2occc2C)C1
InChIInChI=1S/C14H23NO/c1-3-11-5-4-6-12(9-11)13(15)14-10(2)7-8-16-14/h7-8,11-13H,3-6,9,15H2,1-2H3
InChIKeyFQVLURXQODTDBT-UHFFFAOYSA-N
XLogP3.80
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclopropyl-(3-methylfuran-2-yl)methanamine
CID 130706800
(3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
CID 65415344
(2,4-dimethylphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415138
(2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 65412911
(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415745
(2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine
CID 104992313
(3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine
CID 81228911
(4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 104992584
[(3-ethylcyclohexyl)-(2-methylphenyl)methyl]hydrazine
CID 105200437
N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine
CID 104805664
4-[2-amino-2-(3-ethylcyclohexyl)ethyl]pyridin-2-amine
CID 65412909
(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65414537

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(3-methylfuran-2-yl)methanamine?
The IUPAC name of (3-ethylcyclohexyl)-(3-methylfuran-2-yl)methanamine (CID 104804511) is (3-ethylcyclohexyl)-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for (3-ethylcyclohexyl)-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for (3-ethylcyclohexyl)-(3-methylfuran-2-yl)methanamine is CCC1CCCC(C(N)c2occc2C)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(3-methylfuran-2-yl)methanamine?
The InChIKey is FQVLURXQODTDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-11-5-4-6-12(9-11)13(15)14-10(2)7-8-16-14/h7-8,11-13H,3-6,9,15H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(3-methylfuran-2-yl)methanamine?
(3-ethylcyclohexyl)-(3-methylfuran-2-yl)methanamine has a molecular weight of 221.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 104804511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).