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

C15H24N2 — CID 80522198

IUPAC2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine
SMILESCC(C)CNCC1(c2cccnc2)CC(C)C1
InChIInChI=1S/C15H24N2/c1-12(2)9-17-11-15(7-13(3)8-15)14-5-4-6-16-10-14/h4-6,10,12-13,17H,7-9,11H2,1-3H3
InChIKeyBIGDZTFOVWBHDC-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.99
Rot. Bonds5

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

2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine (PubChem CID 80522198) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine
PubChem CID80522198
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine
SMILESCC(C)CNCC1(c2cccnc2)CC(C)C1
InChIInChI=1S/C15H24N2/c1-12(2)9-17-11-15(7-13(3)8-15)14-5-4-6-16-10-14/h4-6,10,12-13,17H,7-9,11H2,1-3H3
InChIKeyBIGDZTFOVWBHDC-UHFFFAOYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Anabasine
CID 205586
Nornicotine
CID 91462
Pheniramine
CID 4761
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
Anabaseine
CID 18985
Rivanicline
CID 5310967
4-Phenylpyridine
CID 13651
3-Ethylpyridine
CID 10823
3-Pyridinemethanamine
CID 31018
3-Butylpyridine
CID 10874

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine (CID 80522198) is 2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine is CC(C)CNCC1(c2cccnc2)CC(C)C1.
What is the InChIKey of 2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine?
The InChIKey is BIGDZTFOVWBHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)9-17-11-15(7-13(3)8-15)14-5-4-6-16-10-14/h4-6,10,12-13,17H,7-9,11H2,1-3H3.
What are the key properties of 2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine?
2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine is sourced from PubChem (CID 80522198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).