5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine

C11H16Cl2N2 — CID 107319957

IUPAC5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine
SMILESClCCCCCNCc1ccncc1Cl
InChIInChI=1S/C11H16Cl2N2/c12-5-2-1-3-6-14-8-10-4-7-15-9-11(10)13/h4,7,9,14H,1-3,5-6,8H2
InChIKeyNRZDLNYRYUPSEU-UHFFFAOYSA-N
MW247.17 g/mol
LogP3.23
Rot. Bonds7

About 5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine

5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine (PubChem CID 107319957) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine
PubChem CID107319957
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine
SMILESClCCCCCNCc1ccncc1Cl
InChIInChI=1S/C11H16Cl2N2/c12-5-2-1-3-6-14-8-10-4-7-15-9-11(10)13/h4,7,9,14H,1-3,5-6,8H2
InChIKeyNRZDLNYRYUPSEU-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 53.23
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

3-chloro-N-(6-chlorohexyl)pyridin-4-amine
CID 107846107
N-[(3-chloro-4-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045751
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
N-[(3-chloro-4-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400953
6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine
CID 107845960
5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine
CID 107319753
N-[(3-chloro-4-pyridinyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905612
[4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol
CID 107230962
2-(5-bromothiophen-2-yl)-N-[(3-chloro-4-pyridinyl)methyl]ethanamine
CID 114140449
1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82737650
6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine
CID 107845431
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine?
The IUPAC name of 5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine (CID 107319957) is 5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine.
What is the SMILES notation for 5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine?
The canonical SMILES for 5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine is ClCCCCCNCc1ccncc1Cl.
What is the InChIKey of 5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine?
The InChIKey is NRZDLNYRYUPSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c12-5-2-1-3-6-14-8-10-4-7-15-9-11(10)13/h4,7,9,14H,1-3,5-6,8H2.
What are the key properties of 5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine?
5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine has a molecular weight of 247.17 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine is sourced from PubChem (CID 107319957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).