N-(3-chloropropyl)pyridin-2-amine

C8H11ClN2 — CID 22118637

IUPACN-(3-chloropropyl)pyridin-2-amine
SMILESClCCCNc1ccccn1
InChIInChI=1S/C8H11ClN2/c9-5-3-7-11-8-4-1-2-6-10-8/h1-2,4,6H,3,5,7H2,(H,10,11)
InChIKeyKALGJUSHGFPMMO-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.12
Rot. Bonds4

About N-(3-chloropropyl)pyridin-2-amine

N-(3-chloropropyl)pyridin-2-amine (PubChem CID 22118637) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is N-(3-chloropropyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)pyridin-2-amine
PubChem CID22118637
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC NameN-(3-chloropropyl)pyridin-2-amine
SMILESClCCCNc1ccccn1
InChIInChI=1S/C8H11ClN2/c9-5-3-7-11-8-4-1-2-6-10-8/h1-2,4,6H,3,5,7H2,(H,10,11)
InChIKeyKALGJUSHGFPMMO-UHFFFAOYSA-N
XLogP2.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorobutyl)pyridin-2-amine
CID 106845032
N-(5-chloropentyl)pyridin-2-amine
CID 107320546
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
N-butylpyridin-2-amine
CID 14322668
N-pent-4-ynylpyridin-2-amine
CID 103704473
N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 61020117
N-(2-fluoroethyl)pyridin-2-amine
CID 23204810
N-(4-methylsulfanylbutyl)pyridin-2-amine
CID 115637469
N-propylpyridin-2-amine
CID 91192651
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
N-(3-butoxypropyl)pyridin-2-amine
CID 115569614
N'-pyridin-2-ylmethanediamine
CID 115225472

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)pyridin-2-amine?
The IUPAC name of N-(3-chloropropyl)pyridin-2-amine (CID 22118637) is N-(3-chloropropyl)pyridin-2-amine.
What is the SMILES notation for N-(3-chloropropyl)pyridin-2-amine?
The canonical SMILES for N-(3-chloropropyl)pyridin-2-amine is ClCCCNc1ccccn1.
What is the InChIKey of N-(3-chloropropyl)pyridin-2-amine?
The InChIKey is KALGJUSHGFPMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c9-5-3-7-11-8-4-1-2-6-10-8/h1-2,4,6H,3,5,7H2,(H,10,11).
What are the key properties of N-(3-chloropropyl)pyridin-2-amine?
N-(3-chloropropyl)pyridin-2-amine has a molecular weight of 170.64 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)pyridin-2-amine is sourced from PubChem (CID 22118637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).