4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine

C10H15ClN2 — CID 106844346

IUPAC4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
SMILESClCCCCNCc1cccnc1
InChIInChI=1S/C10H15ClN2/c11-5-1-2-6-12-8-10-4-3-7-13-9-10/h3-4,7,9,12H,1-2,5-6,8H2
InChIKeyYELQPIZRCVXDFV-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.19
Rot. Bonds6

About 4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine

4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine (PubChem CID 106844346) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
PubChem CID106844346
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
SMILESClCCCCNCc1cccnc1
InChIInChI=1S/C10H15ClN2/c11-5-1-2-6-12-8-10-4-3-7-13-9-10/h3-4,7,9,12H,1-2,5-6,8H2
InChIKeyYELQPIZRCVXDFV-UHFFFAOYSA-N
XLogP2.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.19
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-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63255523
2-(pyridin-3-ylmethylamino)ethanethiol;3-(pyridin-3-ylmethylamino)propane-1-thiol
CID 160887508
3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28671888
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
N-benzyl-12-chlorododecan-1-amine
CID 175007443
4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride
CID 115584514
N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 63256061
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 43600549
3-[[3-(sulfamoylamino)propylamino]methyl]pyridine
CID 114959317
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide
CID 43605828

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine?
The IUPAC name of 4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine (CID 106844346) is 4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine?
The canonical SMILES for 4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine is ClCCCCNCc1cccnc1.
What is the InChIKey of 4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine?
The InChIKey is YELQPIZRCVXDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c11-5-1-2-6-12-8-10-4-3-7-13-9-10/h3-4,7,9,12H,1-2,5-6,8H2.
What are the key properties of 4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine?
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine has a molecular weight of 198.70 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 106844346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).