N-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine

C11H17ClN2 — CID 106354276

IUPACN-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine
SMILESCC(C)C(CCCl)Nc1ccccn1
InChIInChI=1S/C11H17ClN2/c1-9(2)10(6-7-12)14-11-5-3-4-8-13-11/h3-5,8-10H,6-7H2,1-2H3,(H,13,14)
InChIKeyOPMLAXCRPUUYHP-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.15
Rot. Bonds5

About N-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine

N-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine (PubChem CID 106354276) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine
PubChem CID106354276
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine
SMILESCC(C)C(CCCl)Nc1ccccn1
InChIInChI=1S/C11H17ClN2/c1-9(2)10(6-7-12)14-11-5-3-4-8-13-11/h3-5,8-10H,6-7H2,1-2H3,(H,13,14)
InChIKeyOPMLAXCRPUUYHP-UHFFFAOYSA-N
XLogP3.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.15
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

N-(1-chloro-4-methylpentan-3-yl)-4-methylpyridin-2-amine
CID 106354306
N-(1-chloro-4-methylpentan-3-yl)-5-fluoropyridin-2-amine
CID 106354222
dichlorocobalt;N-propan-2-ylpyridin-2-amine
CID 175191424
N-(3,3-dimethylbutan-2-yl)pyridin-2-amine
CID 112704501
1-N'-pyridin-2-ylbutane-1,1-diamine
CID 22118535
1-(pyridin-2-ylamino)ethanol
CID 20521375
N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine
CID 59533491
N-(6-methylheptan-2-yl)pyridin-2-amine
CID 61472531
N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106354243
N-ethylpropan-2-amine;methane;N-propan-2-ylpyridin-2-amine
CID 158791390
N-[bis(phosphanyl)methyl]pyridin-2-amine
CID 118465849
1-chloro-4-methyl-N-(quinolin-8-ylmethyl)pentan-3-amine
CID 106353850

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine?
The IUPAC name of N-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine (CID 106354276) is N-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine.
What is the SMILES notation for N-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine?
The canonical SMILES for N-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine is CC(C)C(CCCl)Nc1ccccn1.
What is the InChIKey of N-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine?
The InChIKey is OPMLAXCRPUUYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-9(2)10(6-7-12)14-11-5-3-4-8-13-11/h3-5,8-10H,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine?
N-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine has a molecular weight of 212.72 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine is sourced from PubChem (CID 106354276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).