5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine

C12H18Cl2N2 — CID 114920911

IUPAC5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(C)c1cc(CCl)c(Cl)cn1
InChIInChI=1S/C12H18Cl2N2/c1-9(2)4-5-16(3)12-6-10(7-13)11(14)8-15-12/h6,8-9H,4-5,7H2,1-3H3
InChIKeySJIYKDSFMOZMIP-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.96
Rot. Bonds5

About 5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine

5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine (PubChem CID 114920911) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine
PubChem CID114920911
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(C)c1cc(CCl)c(Cl)cn1
InChIInChI=1S/C12H18Cl2N2/c1-9(2)4-5-16(3)12-6-10(7-13)11(14)8-15-12/h6,8-9H,4-5,7H2,1-3H3
InChIKeySJIYKDSFMOZMIP-UHFFFAOYSA-N
XLogP3.96
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.96
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-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine
CID 114920828
5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 114921107
5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 114920954
5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 114921039
5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine
CID 114920964
5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 114921067
4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 114925467
5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925371
N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114925738
5-chloro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114925475
2-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)aniline
CID 81151535
[5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol
CID 114920252

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine?
The IUPAC name of 5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine (CID 114920911) is 5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine is CC(C)CCN(C)c1cc(CCl)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine?
The InChIKey is SJIYKDSFMOZMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-9(2)4-5-16(3)12-6-10(7-13)11(14)8-15-12/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine?
5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine has a molecular weight of 261.20 g/mol, XLogP of 3.96, 5 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-(3-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 114920911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).