N-methyl-N-[(2-methyl-3-pyridinyl)methyl]propan-1-amine

C11H18N2 — CID 10631178

IUPACN-methyl-N-[(2-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCN(C)Cc1cccnc1C
InChIInChI=1S/C11H18N2/c1-4-8-13(3)9-11-6-5-7-12-10(11)2/h5-7H,4,8-9H2,1-3H3
InChIKeyOLBANCFMYYLUCH-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.23
Rot. Bonds4

About N-methyl-N-[(2-methyl-3-pyridinyl)methyl]propan-1-amine

N-methyl-N-[(2-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 10631178) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID10631178
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-methyl-N-[(2-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCN(C)Cc1cccnc1C
InChIInChI=1S/C11H18N2/c1-4-8-13(3)9-11-6-5-7-12-10(11)2/h5-7H,4,8-9H2,1-3H3
InChIKeyOLBANCFMYYLUCH-UHFFFAOYSA-N
XLogP2.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-methyl-N-[(2-methyl-3-pyridinyl)methyl]propan-1-amine (CID 10631178) is N-methyl-N-[(2-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[(2-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[(2-methyl-3-pyridinyl)methyl]propan-1-amine is CCCN(C)Cc1cccnc1C.
What is the InChIKey of N-methyl-N-[(2-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is OLBANCFMYYLUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-8-13(3)9-11-6-5-7-12-10(11)2/h5-7H,4,8-9H2,1-3H3.
What are the key properties of N-methyl-N-[(2-methyl-3-pyridinyl)methyl]propan-1-amine?
N-methyl-N-[(2-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 10631178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).