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

C14H25NO — CID 115908118

IUPACN-(cyclopentylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine
SMILESC1CCC(CNC2CCCC3OCCC23)C1
InChIInChI=1S/C14H25NO/c1-2-5-11(4-1)10-15-13-6-3-7-14-12(13)8-9-16-14/h11-15H,1-10H2
InChIKeyVARGQRBSGIVHPB-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.72
Rot. Bonds3

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

N-(cyclopentylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine (PubChem CID 115908118) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine
PubChem CID115908118
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(cyclopentylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine
SMILESC1CCC(CNC2CCCC3OCCC23)C1
InChIInChI=1S/C14H25NO/c1-2-5-11(4-1)10-15-13-6-3-7-14-12(13)8-9-16-14/h11-15H,1-10H2
InChIKeyVARGQRBSGIVHPB-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(cyclobutylmethyl)-2-cyclopropyloxolan-3-amine
CID 103580992
N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine
CID 146209039
trans-(1S,2S)-2-(cyclopentylmethylamino)cyclopentan-1-ol
CID 93345953
trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol
CID 93346202
N-(cyclohexylmethyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120914381
N-(cyclopentylmethyl)-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915794
N-(cyclobutylmethyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79545811
2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine
CID 65025611
N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 115712400
N-(3-methylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine
CID 115728869
1-[(3aS,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]-3-[3-(cyclopropylmethoxy)propyl]urea
CID 97068596
N-(cyclobutylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543505

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine?
The IUPAC name of N-(cyclopentylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine (CID 115908118) is N-(cyclopentylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(cyclopentylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine is C1CCC(CNC2CCCC3OCCC23)C1.
What is the InChIKey of N-(cyclopentylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine?
The InChIKey is VARGQRBSGIVHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-5-11(4-1)10-15-13-6-3-7-14-12(13)8-9-16-14/h11-15H,1-10H2.
What are the key properties of N-(cyclopentylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine?
N-(cyclopentylmethyl)-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, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine is sourced from PubChem (CID 115908118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).