N-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine

C15H25ClN2 — CID 79484205

IUPACN-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine
SMILESCCC(CC)N(Cc1ccnc(Cl)c1)CC(C)C
InChIInChI=1S/C15H25ClN2/c1-5-14(6-2)18(10-12(3)4)11-13-7-8-17-15(16)9-13/h7-9,12,14H,5-6,10-11H2,1-4H3
InChIKeyXJQIEEZAWCZVDF-UHFFFAOYSA-N
MW268.83 g/mol
LogP4.38
Rot. Bonds7

About N-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine

N-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine (PubChem CID 79484205) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is N-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine
PubChem CID79484205
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC NameN-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine
SMILESCCC(CC)N(Cc1ccnc(Cl)c1)CC(C)C
InChIInChI=1S/C15H25ClN2/c1-5-14(6-2)18(10-12(3)4)11-13-7-8-17-15(16)9-13/h7-9,12,14H,5-6,10-11H2,1-4H3
InChIKeyXJQIEEZAWCZVDF-UHFFFAOYSA-N
XLogP4.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine?
The IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine (CID 79484205) is N-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine.
What is the SMILES notation for N-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine?
The canonical SMILES for N-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine is CCC(CC)N(Cc1ccnc(Cl)c1)CC(C)C.
What is the InChIKey of N-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine?
The InChIKey is XJQIEEZAWCZVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-5-14(6-2)18(10-12(3)4)11-13-7-8-17-15(16)9-13/h7-9,12,14H,5-6,10-11H2,1-4H3.
What are the key properties of N-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine?
N-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine has a molecular weight of 268.83 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine is sourced from PubChem (CID 79484205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).