N,2-dimethyl-3-(6-methyl-3-pyridinyl)propan-1-amine

C11H18N2 — CID 64664536

IUPACN,2-dimethyl-3-(6-methyl-3-pyridinyl)propan-1-amine
SMILESCNCC(C)Cc1ccc(C)nc1
InChIInChI=1S/C11H18N2/c1-9(7-12-3)6-11-5-4-10(2)13-8-11/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyUGQUJDCEDUUQRN-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.79
Rot. Bonds4

About N,2-dimethyl-3-(6-methyl-3-pyridinyl)propan-1-amine

N,2-dimethyl-3-(6-methyl-3-pyridinyl)propan-1-amine (PubChem CID 64664536) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N,2-dimethyl-3-(6-methyl-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(6-methyl-3-pyridinyl)propan-1-amine
PubChem CID64664536
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN,2-dimethyl-3-(6-methyl-3-pyridinyl)propan-1-amine
SMILESCNCC(C)Cc1ccc(C)nc1
InChIInChI=1S/C11H18N2/c1-9(7-12-3)6-11-5-4-10(2)13-8-11/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyUGQUJDCEDUUQRN-UHFFFAOYSA-N
XLogP1.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(6-methyl-3-pyridinyl)propan-1-amine?
The IUPAC name of N,2-dimethyl-3-(6-methyl-3-pyridinyl)propan-1-amine (CID 64664536) is N,2-dimethyl-3-(6-methyl-3-pyridinyl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(6-methyl-3-pyridinyl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(6-methyl-3-pyridinyl)propan-1-amine is CNCC(C)Cc1ccc(C)nc1.
What is the InChIKey of N,2-dimethyl-3-(6-methyl-3-pyridinyl)propan-1-amine?
The InChIKey is UGQUJDCEDUUQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(7-12-3)6-11-5-4-10(2)13-8-11/h4-5,8-9,12H,6-7H2,1-3H3.
What are the key properties of N,2-dimethyl-3-(6-methyl-3-pyridinyl)propan-1-amine?
N,2-dimethyl-3-(6-methyl-3-pyridinyl)propan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(6-methyl-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 64664536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).