N-[(6-chloro-3-pyridinyl)methyl]-N-methylpropan-2-amine

C10H15ClN2 — CID 18071209

IUPACN-[(6-chloro-3-pyridinyl)methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C10H15ClN2/c1-8(2)13(3)7-9-4-5-10(11)12-6-9/h4-6,8H,7H2,1-3H3
InChIKeyKVXNMJUYGSKIKB-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.58
Rot. Bonds3

About N-[(6-chloro-3-pyridinyl)methyl]-N-methylpropan-2-amine

N-[(6-chloro-3-pyridinyl)methyl]-N-methylpropan-2-amine (PubChem CID 18071209) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-N-methylpropan-2-amine
PubChem CID18071209
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C10H15ClN2/c1-8(2)13(3)7-9-4-5-10(11)12-6-9/h4-6,8H,7H2,1-3H3
InChIKeyKVXNMJUYGSKIKB-UHFFFAOYSA-N
XLogP2.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.58
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-[(6-chloro-3-pyridinyl)methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-methylpropan-2-amine (CID 18071209) is N-[(6-chloro-3-pyridinyl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N-methylpropan-2-amine is CC(C)N(C)Cc1ccc(Cl)nc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N-methylpropan-2-amine?
The InChIKey is KVXNMJUYGSKIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-8(2)13(3)7-9-4-5-10(11)12-6-9/h4-6,8H,7H2,1-3H3.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N-methylpropan-2-amine?
N-[(6-chloro-3-pyridinyl)methyl]-N-methylpropan-2-amine has a molecular weight of 198.70 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 18071209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).