N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C14H25ClN4 — CID 55059364

IUPACN'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1ncc(CNC)cc1Cl
InChIInChI=1S/C14H25ClN4/c1-5-6-19(8-7-18(3)4)14-13(15)9-12(10-16-2)11-17-14/h9,11,16H,5-8,10H2,1-4H3
InChIKeyHNYLBYFCSNHZAB-UHFFFAOYSA-N
MW284.84 g/mol
LogP2.23
Rot. Bonds8

About N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 55059364) has the molecular formula C14H25ClN4 and a molecular weight of 284.84 g/mol. Its IUPAC name is N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID55059364
Molecular FormulaC14H25ClN4
Molecular Weight284.84 g/mol
Exact Mass284.18
IUPAC NameN'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1ncc(CNC)cc1Cl
InChIInChI=1S/C14H25ClN4/c1-5-6-19(8-7-18(3)4)14-13(15)9-12(10-16-2)11-17-14/h9,11,16H,5-8,10H2,1-4H3
InChIKeyHNYLBYFCSNHZAB-UHFFFAOYSA-N
XLogP2.23
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.84
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine with MolForge

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Related Compounds

N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62294850
3-chloro-5-(ethylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284271
N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62285991
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine
CID 55054577
3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine
CID 62279711
3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine
CID 62293550
3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine
CID 62284099
N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55008890
3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 62281580
3-chloro-N-methyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 55059008
N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63701057
5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 55054995

Frequently Asked Questions

What is the IUPAC name of N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 55059364) is N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)c1ncc(CNC)cc1Cl.
What is the InChIKey of N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is HNYLBYFCSNHZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4/c1-5-6-19(8-7-18(3)4)14-13(15)9-12(10-16-2)11-17-14/h9,11,16H,5-8,10H2,1-4H3.
What are the key properties of N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 284.84 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 55059364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).