1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine

C16H27NO — CID 81030983

IUPAC1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)(C)C)CC1c1ccoc1
InChIInChI=1S/C16H27NO/c1-16(2,3)14-6-5-12(10-17-4)15(9-14)13-7-8-18-11-13/h7-8,11-12,14-15,17H,5-6,9-10H2,1-4H3
InChIKeyOHCBZKJDSHACKL-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.05
Rot. Bonds3

About 1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine

1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine (PubChem CID 81030983) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine
PubChem CID81030983
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)(C)C)CC1c1ccoc1
InChIInChI=1S/C16H27NO/c1-16(2,3)14-6-5-12(10-17-4)15(9-14)13-7-8-18-11-13/h7-8,11-12,14-15,17H,5-6,9-10H2,1-4H3
InChIKeyOHCBZKJDSHACKL-UHFFFAOYSA-N
XLogP4.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023230
1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine
CID 81025663
1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine
CID 81025372
1-[4-tert-butyl-2-(3,5-difluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81025455
N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030599
N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031757
N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029610
N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 81029613
N-[[(1R,2R)-2-(furan-3-yl)cyclopropyl]methyl]hydroxylamine
CID 10582965
N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-2-amine
CID 63208003
[2-(furan-3-yl)-4-propylcyclohexyl]methanamine
CID 81012027
N-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine
CID 81023628

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine (CID 81030983) is 1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine is CNCC1CCC(C(C)(C)C)CC1c1ccoc1.
What is the InChIKey of 1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine?
The InChIKey is OHCBZKJDSHACKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-16(2,3)14-6-5-12(10-17-4)15(9-14)13-7-8-18-11-13/h7-8,11-12,14-15,17H,5-6,9-10H2,1-4H3.
What are the key properties of 1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine?
1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine has a molecular weight of 249.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81030983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).