N-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine

C15H25NO — CID 81403333

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(N[C@H](C)c2ccco2)CC(C)(C)C1
InChIInChI=1S/C15H25NO/c1-11-8-13(10-15(3,4)9-11)16-12(2)14-6-5-7-17-14/h5-7,11-13,16H,8-10H2,1-4H3/t11?,12-,13?/m1/s1
InChIKeyZAXCPBODKOFBAU-OTTFEQOBSA-N
MW235.37 g/mol
LogP4.14
Rot. Bonds3

About N-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine

N-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 81403333) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
PubChem CID81403333
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(N[C@H](C)c2ccco2)CC(C)(C)C1
InChIInChI=1S/C15H25NO/c1-11-8-13(10-15(3,4)9-11)16-12(2)14-6-5-7-17-14/h5-7,11-13,16H,8-10H2,1-4H3/t11?,12-,13?/m1/s1
InChIKeyZAXCPBODKOFBAU-OTTFEQOBSA-N
XLogP4.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 63449363
N-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43078690
N-[(1R)-1-(furan-2-yl)ethyl]oxetan-3-amine
CID 81403066
N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 81403572
N-[1-(4-ethylphenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43223742
N-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43426732
N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine
CID 81402631
N-[1-(furan-2-yl)ethyl]spiro[4.5]decan-8-amine
CID 114817252
N-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine
CID 130617925
N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine
CID 81403796
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43432492
N-[1-(furan-2-yl)ethyl]thiolan-3-amine
CID 43400292

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine (CID 81403333) is N-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine is CC1CC(N[C@H](C)c2ccco2)CC(C)(C)C1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is ZAXCPBODKOFBAU-OTTFEQOBSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-8-13(10-15(3,4)9-11)16-12(2)14-6-5-7-17-14/h5-7,11-13,16H,8-10H2,1-4H3/t11?,12-,13?/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine?
N-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 81403333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).