[5-(4,4-dimethylcyclohexyl)furan-2-yl]methanamine

C13H21NO — CID 83833927

IUPAC[5-(4,4-dimethylcyclohexyl)furan-2-yl]methanamine
SMILESCC1(C)CCC(c2ccc(CN)o2)CC1
InChIInChI=1S/C13H21NO/c1-13(2)7-5-10(6-8-13)12-4-3-11(9-14)15-12/h3-4,10H,5-9,14H2,1-2H3
InChIKeyUOULGYWNABKBQE-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.42
Rot. Bonds2

About [5-(4,4-dimethylcyclohexyl)furan-2-yl]methanamine

[5-(4,4-dimethylcyclohexyl)furan-2-yl]methanamine (PubChem CID 83833927) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is [5-(4,4-dimethylcyclohexyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4,4-dimethylcyclohexyl)furan-2-yl]methanamine
PubChem CID83833927
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name[5-(4,4-dimethylcyclohexyl)furan-2-yl]methanamine
SMILESCC1(C)CCC(c2ccc(CN)o2)CC1
InChIInChI=1S/C13H21NO/c1-13(2)7-5-10(6-8-13)12-4-3-11(9-14)15-12/h3-4,10H,5-9,14H2,1-2H3
InChIKeyUOULGYWNABKBQE-UHFFFAOYSA-N
XLogP3.42
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Phenyl-2-furanmethanamine
CID 11993871
2-(Aminomethyl)benzofuran
CID 19079348
1-(Furan-2-yl)-2,2-dimethylpropan-1-amine
CID 54593350
(5-Methyl-1-benzofuran-2-yl)methanamine
CID 45122674
Tert-butyl-[(5-phenylfuran-2-yl)methyl]azanium
CID 7425098
(5-Phenylfuran-2-yl)methyl-propan-2-ylazanium
CID 41494845
N-((5-phenylfuran-2-yl)methyl)propan-2-amine
CID 17156312
[5-(4-Chlorophenyl)-2-furyl]methylamine
CID 2474281
1-(2-Furyl)-1-phenylmethanamine
CID 3144389
[4-(Furan-2-yl)phenyl]methanamine
CID 7537509
N-[(5-phenylfuran-2-yl)methyl]ethanamine
CID 4723413
(Furan-2-yl)(phenyl)methanamine hydrochloride
CID 12280962

Frequently Asked Questions

What is the IUPAC name of [5-(4,4-dimethylcyclohexyl)furan-2-yl]methanamine?
The IUPAC name of [5-(4,4-dimethylcyclohexyl)furan-2-yl]methanamine (CID 83833927) is [5-(4,4-dimethylcyclohexyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(4,4-dimethylcyclohexyl)furan-2-yl]methanamine?
The canonical SMILES for [5-(4,4-dimethylcyclohexyl)furan-2-yl]methanamine is CC1(C)CCC(c2ccc(CN)o2)CC1.
What is the InChIKey of [5-(4,4-dimethylcyclohexyl)furan-2-yl]methanamine?
The InChIKey is UOULGYWNABKBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2)7-5-10(6-8-13)12-4-3-11(9-14)15-12/h3-4,10H,5-9,14H2,1-2H3.
What are the key properties of [5-(4,4-dimethylcyclohexyl)furan-2-yl]methanamine?
[5-(4,4-dimethylcyclohexyl)furan-2-yl]methanamine has a molecular weight of 207.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,4-dimethylcyclohexyl)furan-2-yl]methanamine is sourced from PubChem (CID 83833927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).