N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C14H25ClN4 — CID 114925738

IUPACN'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)c1cc(CN)c(Cl)cn1
InChIInChI=1S/C14H25ClN4/c1-11(2)10-19(6-5-18(3)4)14-7-12(8-16)13(15)9-17-14/h7,9,11H,5-6,8,10,16H2,1-4H3
InChIKeyXVJWPPWXOGCLGZ-UHFFFAOYSA-N
MW284.84 g/mol
LogP2.22
Rot. Bonds7

About N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 114925738) has the molecular formula C14H25ClN4 and a molecular weight of 284.84 g/mol. Its IUPAC name is N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID114925738
Molecular FormulaC14H25ClN4
Molecular Weight284.84 g/mol
Exact Mass284.18
IUPAC NameN'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)c1cc(CN)c(Cl)cn1
InChIInChI=1S/C14H25ClN4/c1-11(2)10-19(6-5-18(3)4)14-7-12(8-16)13(15)9-17-14/h7,9,11H,5-6,8,10,16H2,1-4H3
InChIKeyXVJWPPWXOGCLGZ-UHFFFAOYSA-N
XLogP2.22
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.84
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine with MolForge

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Related Compounds

N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55006973
4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 114925467
N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114870363
4-(aminomethyl)-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine
CID 114926791
5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925419
5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine
CID 114925412
4-(aminomethyl)-5-chloro-N-cyclopropyl-N-methylpyridin-2-amine
CID 114925351
2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine
CID 106890203
5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 114920911
N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55008890
[6-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-pyridinyl]methanol
CID 55008988
N'-[2-(aminomethyl)-5-methylphenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55057011

Frequently Asked Questions

What is the IUPAC name of N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 114925738) is N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN(C)C)c1cc(CN)c(Cl)cn1.
What is the InChIKey of N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is XVJWPPWXOGCLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4/c1-11(2)10-19(6-5-18(3)4)14-7-12(8-16)13(15)9-17-14/h7,9,11H,5-6,8,10,16H2,1-4H3.
What are the key properties of N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 284.84 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 114925738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).