N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine

C16H27NO — CID 63000497

IUPACN-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2ccco2)CCCCC1
InChIInChI=1S/C16H27NO/c1-14(2)12-17-13-16(8-4-3-5-9-16)11-15-7-6-10-18-15/h6-7,10,14,17H,3-5,8-9,11-13H2,1-2H3
InChIKeyPVWHPKGDXWRWBS-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.02
Rot. Bonds6

About N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 63000497) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID63000497
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2ccco2)CCCCC1
InChIInChI=1S/C16H27NO/c1-14(2)12-17-13-16(8-4-3-5-9-16)11-15-7-6-10-18-15/h6-7,10,14,17H,3-5,8-9,11-13H2,1-2H3
InChIKeyPVWHPKGDXWRWBS-UHFFFAOYSA-N
XLogP4.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194561
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196618
N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196271
1-(furan-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine
CID 63133032
[1-[[2-(furan-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412953
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 112644091
N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62997767
N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 115444997
1-(furan-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]methanamine
CID 62258015
1-(furan-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115696278
N-[[1-(furan-2-ylmethyl)cyclopropyl]methyl]cyclopropanamine
CID 66024468
2-methyl-N-[[1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 63484371

Frequently Asked Questions

What is the IUPAC name of N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine (CID 63000497) is N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(Cc2ccco2)CCCCC1.
What is the InChIKey of N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is PVWHPKGDXWRWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-14(2)12-17-13-16(8-4-3-5-9-16)11-15-7-6-10-18-15/h6-7,10,14,17H,3-5,8-9,11-13H2,1-2H3.
What are the key properties of N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63000497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).