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

C16H24Cl2N2 — CID 114921107

IUPAC5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(c1cc(CCl)c(Cl)cn1)C1CCCC1
InChIInChI=1S/C16H24Cl2N2/c1-12(2)7-8-20(14-5-3-4-6-14)16-9-13(10-17)15(18)11-19-16/h9,11-12,14H,3-8,10H2,1-2H3
InChIKeyHJZZFEFFZHQCHS-UHFFFAOYSA-N
MW315.29 g/mol
LogP5.27
Rot. Bonds6

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

5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine (PubChem CID 114921107) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
PubChem CID114921107
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(c1cc(CCl)c(Cl)cn1)C1CCCC1
InChIInChI=1S/C16H24Cl2N2/c1-12(2)7-8-20(14-5-3-4-6-14)16-9-13(10-17)15(18)11-19-16/h9,11-12,14H,3-8,10H2,1-2H3
InChIKeyHJZZFEFFZHQCHS-UHFFFAOYSA-N
XLogP5.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.29
LogP ≤ 55.27
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-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid
CID 114919807
4-(aminomethyl)-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine
CID 114926791
5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 114920911
5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 103583405
3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78943846
5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 114920954
2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine
CID 83265339
5-bromo-3-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78943847
5-chloro-N-cyclopropyl-N-ethyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925446
4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80839751
5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114920935
3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine
CID 102759062

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine?
The IUPAC name of 5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine (CID 114921107) is 5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine is CC(C)CCN(c1cc(CCl)c(Cl)cn1)C1CCCC1.
What is the InChIKey of 5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine?
The InChIKey is HJZZFEFFZHQCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-12(2)7-8-20(14-5-3-4-6-14)16-9-13(10-17)15(18)11-19-16/h9,11-12,14H,3-8,10H2,1-2H3.
What are the key properties of 5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine?
5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine has a molecular weight of 315.29 g/mol, XLogP of 5.27, 6 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-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 114921107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).