3-(4-chloro-2-methylpentyl)pyridin-4-amine

C11H17ClN2 — CID 64721238

IUPAC3-(4-chloro-2-methylpentyl)pyridin-4-amine
SMILESCC(Cl)CC(C)Cc1cnccc1N
InChIInChI=1S/C11H17ClN2/c1-8(5-9(2)12)6-10-7-14-4-3-11(10)13/h3-4,7-9H,5-6H2,1-2H3,(H2,13,14)
InChIKeyBMEBSEWMUWFJPM-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.86
Rot. Bonds4

About 3-(4-chloro-2-methylpentyl)pyridin-4-amine

3-(4-chloro-2-methylpentyl)pyridin-4-amine (PubChem CID 64721238) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 3-(4-chloro-2-methylpentyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(4-chloro-2-methylpentyl)pyridin-4-amine
PubChem CID64721238
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name3-(4-chloro-2-methylpentyl)pyridin-4-amine
SMILESCC(Cl)CC(C)Cc1cnccc1N
InChIInChI=1S/C11H17ClN2/c1-8(5-9(2)12)6-10-7-14-4-3-11(10)13/h3-4,7-9H,5-6H2,1-2H3,(H2,13,14)
InChIKeyBMEBSEWMUWFJPM-UHFFFAOYSA-N
XLogP2.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorobutyl)pyridin-4-amine
CID 130480258
3-[3-(ethylamino)-2-methylpropyl]pyridin-4-amine
CID 64663911
3-(2-hydrazinyl-3-methylbutyl)pyridin-4-amine
CID 105199730
3-(bromomethyl)pyridin-4-amine
CID 18674607
1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol
CID 103449230
3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine
CID 65129254
1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
CID 79053969
3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756787
3-[2-amino-2-(1-pyrrolidin-1-ylcyclopentyl)ethyl]pyridin-4-amine
CID 79058709
3-[2-(methylamino)-2-(4-propan-2-ylcyclohexyl)ethyl]pyridin-4-amine
CID 65425351
3-(1-chloro-2-methylpropyl)pyridin-4-amine
CID 130480173
3-(3-chloro-3-phenylpropyl)pyridin-4-amine
CID 64507336

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylpentyl)pyridin-4-amine?
The IUPAC name of 3-(4-chloro-2-methylpentyl)pyridin-4-amine (CID 64721238) is 3-(4-chloro-2-methylpentyl)pyridin-4-amine.
What is the SMILES notation for 3-(4-chloro-2-methylpentyl)pyridin-4-amine?
The canonical SMILES for 3-(4-chloro-2-methylpentyl)pyridin-4-amine is CC(Cl)CC(C)Cc1cnccc1N.
What is the InChIKey of 3-(4-chloro-2-methylpentyl)pyridin-4-amine?
The InChIKey is BMEBSEWMUWFJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-8(5-9(2)12)6-10-7-14-4-3-11(10)13/h3-4,7-9H,5-6H2,1-2H3,(H2,13,14).
What are the key properties of 3-(4-chloro-2-methylpentyl)pyridin-4-amine?
3-(4-chloro-2-methylpentyl)pyridin-4-amine has a molecular weight of 212.72 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylpentyl)pyridin-4-amine is sourced from PubChem (CID 64721238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).