3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine

C18H29N3 — CID 115376568

IUPAC3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine
SMILESCN(C)c1cccc(NC2CCCC2C2CCCCN2)c1
InChIInChI=1S/C18H29N3/c1-21(2)15-8-5-7-14(13-15)20-18-11-6-9-16(18)17-10-3-4-12-19-17/h5,7-8,13,16-20H,3-4,6,9-12H2,1-2H3
InChIKeyFBLTWWGNTFYPTE-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.48
Rot. Bonds4

About 3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine

3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine (PubChem CID 115376568) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine
PubChem CID115376568
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine
SMILESCN(C)c1cccc(NC2CCCC2C2CCCCN2)c1
InChIInChI=1S/C18H29N3/c1-21(2)15-8-5-7-14(13-15)20-18-11-6-9-16(18)17-10-3-4-12-19-17/h5,7-8,13,16-20H,3-4,6,9-12H2,1-2H3
InChIKeyFBLTWWGNTFYPTE-UHFFFAOYSA-N
XLogP3.48
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545058
3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile
CID 79545201
2-chloro-1-N,1-N-dimethyl-4-N-(2-pyrrolidin-2-ylcyclopentyl)benzene-1,4-diamine
CID 79536895
3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79536883
N-(2-pyrrolidin-2-ylcyclopentyl)-1,3-benzodioxol-5-amine
CID 79536079
3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545806
4-[(2-piperidin-2-ylcyclopentyl)amino]phenol
CID 79545447
3-N,3-N-dimethyl-1-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,3-diamine
CID 115376237
N-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine
CID 79537602
3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79537664
2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107597064
2,3-dimethyl-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545127

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine (CID 115376568) is 3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine is CN(C)c1cccc(NC2CCCC2C2CCCCN2)c1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine?
The InChIKey is FBLTWWGNTFYPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-21(2)15-8-5-7-14(13-15)20-18-11-6-9-16(18)17-10-3-4-12-19-17/h5,7-8,13,16-20H,3-4,6,9-12H2,1-2H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine has a molecular weight of 287.45 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine is sourced from PubChem (CID 115376568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).