1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine

C13H17N3O — CID 115117420

IUPAC1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine
SMILESNC1CCCC1NCc1ccc2ncoc2c1
InChIInChI=1S/C13H17N3O/c14-10-2-1-3-11(10)15-7-9-4-5-12-13(6-9)17-8-16-12/h4-6,8,10-11,15H,1-3,7,14H2
InChIKeyHEWUXMMSYHHKHO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.80
Rot. Bonds3

About 1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine

1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine (PubChem CID 115117420) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine
PubChem CID115117420
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine
SMILESNC1CCCC1NCc1ccc2ncoc2c1
InChIInChI=1S/C13H17N3O/c14-10-2-1-3-11(10)15-7-9-4-5-12-13(6-9)17-8-16-12/h4-6,8,10-11,15H,1-3,7,14H2
InChIKeyHEWUXMMSYHHKHO-UHFFFAOYSA-N
XLogP1.80
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-N-[[4-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenyl]methyl]cyclohexane-1,2-diamine;tetrahydrochloride
CID 139241263
1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine
CID 115117343
1-(1,3-benzoxazol-6-yl)-N-(chloromethyl)methanamine
CID 115263067
1,3-benzoxazol-6-ylmethanamine
CID 55219292
(1,3-benzoxazol-6-ylmethylamino)methanol
CID 115229031
1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine
CID 115256700
N-(1,3-benzoxazol-6-ylmethyl)-2-pyrrolidin-2-ylethanamine
CID 115210326
1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile
CID 115245286
2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde
CID 115222967
4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine
CID 116926361
1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine
CID 115117395
1-amino-3-(1,3-benzoxazol-6-ylmethylamino)propan-2-ol
CID 115121411

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine (CID 115117420) is 1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine is NC1CCCC1NCc1ccc2ncoc2c1.
What is the InChIKey of 1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine?
The InChIKey is HEWUXMMSYHHKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-10-2-1-3-11(10)15-7-9-4-5-12-13(6-9)17-8-16-12/h4-6,8,10-11,15H,1-3,7,14H2.
What are the key properties of 1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine?
1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 115117420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).