N'-(5-chloro-2-pyridinyl)pentane-1,5-diamine

C10H16ClN3 — CID 107323387

IUPACN'-(5-chloro-2-pyridinyl)pentane-1,5-diamine
SMILESNCCCCCNc1ccc(Cl)cn1
InChIInChI=1S/C10H16ClN3/c11-9-4-5-10(14-8-9)13-7-3-1-2-6-12/h4-5,8H,1-3,6-7,12H2,(H,13,14)
InChIKeyLGPPNRIAJHKVEH-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.28
Rot. Bonds6

About N'-(5-chloro-2-pyridinyl)pentane-1,5-diamine

N'-(5-chloro-2-pyridinyl)pentane-1,5-diamine (PubChem CID 107323387) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)pentane-1,5-diamine
PubChem CID107323387
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC NameN'-(5-chloro-2-pyridinyl)pentane-1,5-diamine
SMILESNCCCCCNc1ccc(Cl)cn1
InChIInChI=1S/C10H16ClN3/c11-9-4-5-10(14-8-9)13-7-3-1-2-6-12/h4-5,8H,1-3,6-7,12H2,(H,13,14)
InChIKeyLGPPNRIAJHKVEH-UHFFFAOYSA-N
XLogP2.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 18507461
3-[(5-chloro-2-pyridinyl)amino]propan-1-ol
CID 29043106
N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine
CID 107323439
4-[(5-chloro-2-pyridinyl)amino]butanoic acid
CID 24698899
5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 54931106
5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 62993016
N-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide
CID 103704919
N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine
CID 115366147
N'-pyrazin-2-ylhexane-1,6-diamine
CID 107845150
N'-(5-chloropyrazin-2-yl)propane-1,3-diamine
CID 131197654
5-chloro-N-(3-chlorobutyl)pyridin-2-amine
CID 65028422
N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine
CID 62503194

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)pentane-1,5-diamine?
The IUPAC name of N'-(5-chloro-2-pyridinyl)pentane-1,5-diamine (CID 107323387) is N'-(5-chloro-2-pyridinyl)pentane-1,5-diamine.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)pentane-1,5-diamine?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)pentane-1,5-diamine is NCCCCCNc1ccc(Cl)cn1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)pentane-1,5-diamine?
The InChIKey is LGPPNRIAJHKVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c11-9-4-5-10(14-8-9)13-7-3-1-2-6-12/h4-5,8H,1-3,6-7,12H2,(H,13,14).
What are the key properties of N'-(5-chloro-2-pyridinyl)pentane-1,5-diamine?
N'-(5-chloro-2-pyridinyl)pentane-1,5-diamine has a molecular weight of 213.71 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)pentane-1,5-diamine is sourced from PubChem (CID 107323387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).