N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

C15H21N3O — CID 63318578

IUPACN-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1nc2ccccc2o1)C1CCCC1
InChIInChI=1S/C15H21N3O/c1-18(12-6-2-3-7-12)11-10-16-15-17-13-8-4-5-9-14(13)19-15/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,16,17)
InChIKeyNTWCSEMUCBYHFI-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.11
Rot. Bonds5

About N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (PubChem CID 63318578) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
PubChem CID63318578
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1nc2ccccc2o1)C1CCCC1
InChIInChI=1S/C15H21N3O/c1-18(12-6-2-3-7-12)11-10-16-15-17-13-8-4-5-9-14(13)19-15/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,16,17)
InChIKeyNTWCSEMUCBYHFI-UHFFFAOYSA-N
XLogP3.11
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine
CID 79893310
N-(1,3-benzoxazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 60980989
N-(1,2,4-benzotriazin-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 103204297
N'-(1,3-benzoxazol-2-yl)-N-cycloheptylethane-1,2-diamine
CID 115306743
N-propyl-1,3-benzoxazol-2-amine
CID 584386
N'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 63318491
N-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine
CID 133275489
N-[2-(2-cyclohexylphenyl)ethyl]-1,3-benzoxazol-2-amine
CID 19426787
3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide
CID 47281823
N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine
CID 55023477
N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 62351549
N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-2-amine
CID 63623825

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (CID 63318578) is N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is CN(CCNc1nc2ccccc2o1)C1CCCC1.
What is the InChIKey of N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The InChIKey is NTWCSEMUCBYHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18(12-6-2-3-7-12)11-10-16-15-17-13-8-4-5-9-14(13)19-15/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,16,17).
What are the key properties of N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine has a molecular weight of 259.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63318578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).