N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C16H27NO — CID 63424145

IUPACN-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCc2ccoc2)CC1
InChIInChI=1S/C16H27NO/c1-4-16(2,3)14-5-7-15(8-6-14)17-11-13-9-10-18-12-13/h9-10,12,14-15,17H,4-8,11H2,1-3H3
InChIKeyNSHKLGSRDFSCMS-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.36
Rot. Bonds5

About N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 63424145) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID63424145
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCc2ccoc2)CC1
InChIInChI=1S/C16H27NO/c1-4-16(2,3)14-5-7-15(8-6-14)17-11-13-9-10-18-12-13/h9-10,12,14-15,17H,4-8,11H2,1-3H3
InChIKeyNSHKLGSRDFSCMS-UHFFFAOYSA-N
XLogP4.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43224673
4-(2-methylbutan-2-yl)-N-(1,2-oxazol-5-ylmethyl)cyclohexan-1-amine
CID 103605629
4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 28553389
N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63423900
N-(furan-3-ylmethyl)thian-4-amine
CID 115585258
4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 43435287
[3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol
CID 103699215
4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224675
N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114555002
2-cyclopropyl-2-(furan-3-ylmethylamino)propan-1-ol
CID 115685163
1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone
CID 60979868
N-(furan-3-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64722368

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 63424145) is N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(NCc2ccoc2)CC1.
What is the InChIKey of N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is NSHKLGSRDFSCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-16(2,3)14-5-7-15(8-6-14)17-11-13-9-10-18-12-13/h9-10,12,14-15,17H,4-8,11H2,1-3H3.
What are the key properties of N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 63424145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).