N-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine

C15H24ClN3 — CID 131949946

IUPACN-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)C1CCCC1)Cc1cnccc1Cl
InChIInChI=1S/C15H24ClN3/c1-18(12-13-11-17-8-7-15(13)16)9-10-19(2)14-5-3-4-6-14/h7-8,11,14H,3-6,9-10,12H2,1-2H3
InChIKeyHMEDNGWNFQZXPB-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.04
Rot. Bonds6

About N-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine

N-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine (PubChem CID 131949946) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine
PubChem CID131949946
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC NameN-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)C1CCCC1)Cc1cnccc1Cl
InChIInChI=1S/C15H24ClN3/c1-18(12-13-11-17-8-7-15(13)16)9-10-19(2)14-5-3-4-6-14/h7-8,11,14H,3-6,9-10,12H2,1-2H3
InChIKeyHMEDNGWNFQZXPB-UHFFFAOYSA-N
XLogP3.04
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine (CID 131949946) is N-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine is CN(CCN(C)C1CCCC1)Cc1cnccc1Cl.
What is the InChIKey of N-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine?
The InChIKey is HMEDNGWNFQZXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-18(12-13-11-17-8-7-15(13)16)9-10-19(2)14-5-3-4-6-14/h7-8,11,14H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine?
N-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine has a molecular weight of 281.83 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 131949946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).