5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine

C12H16Cl2N2 — CID 114921067

IUPAC5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
SMILESCC1CC1CN(C)c1cc(CCl)c(Cl)cn1
InChIInChI=1S/C12H16Cl2N2/c1-8-3-10(8)7-16(2)12-4-9(5-13)11(14)6-15-12/h4,6,8,10H,3,5,7H2,1-2H3
InChIKeyLTJRDEMVJMLDDD-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.57
Rot. Bonds4

About 5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine

5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine (PubChem CID 114921067) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
PubChem CID114921067
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
SMILESCC1CC1CN(C)c1cc(CCl)c(Cl)cn1
InChIInChI=1S/C12H16Cl2N2/c1-8-3-10(8)7-16(2)12-4-9(5-13)11(14)6-15-12/h4,6,8,10H,3,5,7H2,1-2H3
InChIKeyLTJRDEMVJMLDDD-UHFFFAOYSA-N
XLogP3.57
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol
CID 114920412
5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine
CID 114920828
6-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 63860661
5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 114920911
6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 63860494
5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 114921039
[5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 114920404
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 80838310
6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 63866672
5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926307
5-chloro-N-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 114926476
5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80839936

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine (CID 114921067) is 5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine is CC1CC1CN(C)c1cc(CCl)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine?
The InChIKey is LTJRDEMVJMLDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c1-8-3-10(8)7-16(2)12-4-9(5-13)11(14)6-15-12/h4,6,8,10H,3,5,7H2,1-2H3.
What are the key properties of 5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine?
5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine has a molecular weight of 259.18 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine is sourced from PubChem (CID 114921067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).