N-(4-chlorobutyl)pyridin-4-amine

C9H13ClN2 — CID 106845129

IUPACN-(4-chlorobutyl)pyridin-4-amine
SMILESClCCCCNc1ccncc1
InChIInChI=1S/C9H13ClN2/c10-5-1-2-6-12-9-3-7-11-8-4-9/h3-4,7-8H,1-2,5-6H2,(H,11,12)
InChIKeyLLKQNRMGCMQRCC-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.51
Rot. Bonds5

About N-(4-chlorobutyl)pyridin-4-amine

N-(4-chlorobutyl)pyridin-4-amine (PubChem CID 106845129) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is N-(4-chlorobutyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(4-chlorobutyl)pyridin-4-amine
PubChem CID106845129
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC NameN-(4-chlorobutyl)pyridin-4-amine
SMILESClCCCCNc1ccncc1
InChIInChI=1S/C9H13ClN2/c10-5-1-2-6-12-9-3-7-11-8-4-9/h3-4,7-8H,1-2,5-6H2,(H,11,12)
InChIKeyLLKQNRMGCMQRCC-UHFFFAOYSA-N
XLogP2.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.51
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,N'-dipyridin-4-ylheptane-1,7-diamine
CID 23645208
N-(4-chlorobutyl)-4-(trifluoromethyl)aniline
CID 46941334
N-(15,15-dimethylhexadecyl)pyridin-4-amine
CID 173437597
3-(pyridin-4-ylamino)propyl hypoiodite
CID 143003434
3-chloro-N-(6-chlorohexyl)pyridin-4-amine
CID 107846107
N-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine
CID 115689729
4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine
CID 115205190
N-(5-chloropentyl)-3-methylpyridin-4-amine
CID 107320518
1-N-pyridin-4-ylpentane-1,4-diamine
CID 106127738
N-(4-chlorobutyl)pyridin-2-amine
CID 106845032
N-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride
CID 11151770
N-(3-pyrazol-1-ylpropyl)pyridin-4-amine
CID 115669379

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)pyridin-4-amine?
The IUPAC name of N-(4-chlorobutyl)pyridin-4-amine (CID 106845129) is N-(4-chlorobutyl)pyridin-4-amine.
What is the SMILES notation for N-(4-chlorobutyl)pyridin-4-amine?
The canonical SMILES for N-(4-chlorobutyl)pyridin-4-amine is ClCCCCNc1ccncc1.
What is the InChIKey of N-(4-chlorobutyl)pyridin-4-amine?
The InChIKey is LLKQNRMGCMQRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c10-5-1-2-6-12-9-3-7-11-8-4-9/h3-4,7-8H,1-2,5-6H2,(H,11,12).
What are the key properties of N-(4-chlorobutyl)pyridin-4-amine?
N-(4-chlorobutyl)pyridin-4-amine has a molecular weight of 184.67 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)pyridin-4-amine is sourced from PubChem (CID 106845129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).