N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine

C15H25NO — CID 65390247

IUPACN-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccco1)C1CCC(C)(C)CC1
InChIInChI=1S/C15H25NO/c1-4-16-14(13-6-5-11-17-13)12-7-9-15(2,3)10-8-12/h5-6,11-12,14,16H,4,7-10H2,1-3H3
InChIKeyPJTSNCXMEQRWKC-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.15
Rot. Bonds4

About N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine

N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine (PubChem CID 65390247) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine
PubChem CID65390247
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccco1)C1CCC(C)(C)CC1
InChIInChI=1S/C15H25NO/c1-4-16-14(13-6-5-11-17-13)12-7-9-15(2,3)10-8-12/h5-6,11-12,14,16H,4,7-10H2,1-3H3
InChIKeyPJTSNCXMEQRWKC-UHFFFAOYSA-N
XLogP4.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[furan-2-yl-(3-methylcyclopentyl)methyl]ethanamine
CID 65413778
N-[2,3-dihydro-1H-inden-2-yl(furan-2-yl)methyl]ethanamine
CID 65411125
N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 79914001
1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine
CID 105147024
N-[(4,4-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
CID 65390054
N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
CID 65392039
N-[(3,4-dichlorophenyl)-(4,4-dimethylcyclohexyl)methyl]ethanamine
CID 65392424
N-[(4,4-dimethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114688067
N-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 65391437
N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine
CID 107001178
N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine
CID 79908966
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine
CID 65391828

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine (CID 65390247) is N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine is CCNC(c1ccco1)C1CCC(C)(C)CC1.
What is the InChIKey of N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine?
The InChIKey is PJTSNCXMEQRWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-16-14(13-6-5-11-17-13)12-7-9-15(2,3)10-8-12/h5-6,11-12,14,16H,4,7-10H2,1-3H3.
What are the key properties of N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine?
N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine is sourced from PubChem (CID 65390247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).