3-[(3-cyclopentyloxyphenyl)methyl]-2H-pyridine-2,3-diamine

C17H23N3O — CID 69246010

IUPAC3-[(3-cyclopentyloxyphenyl)methyl]-2H-pyridine-2,3-diamine
SMILESNC1N=CC=CC1(N)Cc1cccc(OC2CCCC2)c1
InChIInChI=1S/C17H23N3O/c18-16-17(19,9-4-10-20-16)12-13-5-3-8-15(11-13)21-14-6-1-2-7-14/h3-5,8-11,14,16H,1-2,6-7,12,18-19H2
InChIKeyCMODPFHGAIVMMJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.17
Rot. Bonds4

About 3-[(3-cyclopentyloxyphenyl)methyl]-2H-pyridine-2,3-diamine

3-[(3-cyclopentyloxyphenyl)methyl]-2H-pyridine-2,3-diamine (PubChem CID 69246010) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(3-cyclopentyloxyphenyl)methyl]-2H-pyridine-2,3-diamine.

Molecular Properties

Compound Name3-[(3-cyclopentyloxyphenyl)methyl]-2H-pyridine-2,3-diamine
PubChem CID69246010
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[(3-cyclopentyloxyphenyl)methyl]-2H-pyridine-2,3-diamine
SMILESNC1N=CC=CC1(N)Cc1cccc(OC2CCCC2)c1
InChIInChI=1S/C17H23N3O/c18-16-17(19,9-4-10-20-16)12-13-5-3-8-15(11-13)21-14-6-1-2-7-14/h3-5,8-11,14,16H,1-2,6-7,12,18-19H2
InChIKeyCMODPFHGAIVMMJ-UHFFFAOYSA-N
XLogP2.17
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-butoxyphenyl)methyl]-2H-pyridine-2,3-diamine
CID 69248536
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117413869
(3-ethylphenoxy)cyclooctane
CID 91220327
1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride
CID 54592852
3-(3-cyclobutyloxyphenyl)propan-1-amine
CID 117294096
(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine
CID 66517730
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
1-[[3-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117338698
(3-cyclopentyloxyphenyl)hydrazine
CID 55281400
3-(3-cyclobutyloxyphenyl)propan-1-ol
CID 117294966
1-[5-[2-(3-cyclopentyloxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864617

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopentyloxyphenyl)methyl]-2H-pyridine-2,3-diamine?
The IUPAC name of 3-[(3-cyclopentyloxyphenyl)methyl]-2H-pyridine-2,3-diamine (CID 69246010) is 3-[(3-cyclopentyloxyphenyl)methyl]-2H-pyridine-2,3-diamine.
What is the SMILES notation for 3-[(3-cyclopentyloxyphenyl)methyl]-2H-pyridine-2,3-diamine?
The canonical SMILES for 3-[(3-cyclopentyloxyphenyl)methyl]-2H-pyridine-2,3-diamine is NC1N=CC=CC1(N)Cc1cccc(OC2CCCC2)c1.
What is the InChIKey of 3-[(3-cyclopentyloxyphenyl)methyl]-2H-pyridine-2,3-diamine?
The InChIKey is CMODPFHGAIVMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-16-17(19,9-4-10-20-16)12-13-5-3-8-15(11-13)21-14-6-1-2-7-14/h3-5,8-11,14,16H,1-2,6-7,12,18-19H2.
What are the key properties of 3-[(3-cyclopentyloxyphenyl)methyl]-2H-pyridine-2,3-diamine?
3-[(3-cyclopentyloxyphenyl)methyl]-2H-pyridine-2,3-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopentyloxyphenyl)methyl]-2H-pyridine-2,3-diamine is sourced from PubChem (CID 69246010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).