N-(3-methylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine

C14H25NO — CID 115728869

IUPACN-(3-methylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine
SMILESCC1CCC(NC2CCCC3OCCC23)C1
InChIInChI=1S/C14H25NO/c1-10-5-6-11(9-10)15-13-3-2-4-14-12(13)7-8-16-14/h10-15H,2-9H2,1H3
InChIKeyZNWJZTBUTBBXJZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.72
Rot. Bonds2

About N-(3-methylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine

N-(3-methylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine (PubChem CID 115728869) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine
PubChem CID115728869
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(3-methylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine
SMILESCC1CCC(NC2CCCC3OCCC23)C1
InChIInChI=1S/C14H25NO/c1-10-5-6-11(9-10)15-13-3-2-4-14-12(13)7-8-16-14/h10-15H,2-9H2,1H3
InChIKeyZNWJZTBUTBBXJZ-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3aS,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]-1-tert-butylpiperidin-4-amine
CID 100901011
2-cyclohexyl-N-(3-methylcyclohexyl)cyclohexan-1-amine
CID 43432566
trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol
CID 124677465
N-(3-methylcyclopentyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 114543913
2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 64501138
trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine
CID 99646097
2-ethyl-N-(3-methylcyclopentyl)oxan-4-amine
CID 114543810
2-methyl-N-(4-methylcycloheptyl)oxan-4-amine
CID 102795084
N-(cyclopentylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine
CID 115908118
N-[(1R,3R)-3-methylcyclopentyl]cyclohexanamine
CID 95376125
N-[(1S,2R)-2-fluorocyclopentyl]-2-methyloxan-4-amine
CID 130702555
cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol
CID 93346213

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine?
The IUPAC name of N-(3-methylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine (CID 115728869) is N-(3-methylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(3-methylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(3-methylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine is CC1CCC(NC2CCCC3OCCC23)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine?
The InChIKey is ZNWJZTBUTBBXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10-5-6-11(9-10)15-13-3-2-4-14-12(13)7-8-16-14/h10-15H,2-9H2,1H3.
What are the key properties of N-(3-methylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine?
N-(3-methylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine has a molecular weight of 223.36 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine is sourced from PubChem (CID 115728869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).