2-(aminomethyl)-4,4-dimethyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one

C14H26N2O — CID 107472799

IUPAC2-(aminomethyl)-4,4-dimethyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
SMILESCC1=CCN(C(=O)C(CN)CC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O/c1-11-5-7-16(8-6-11)13(17)12(10-15)9-14(2,3)4/h5,12H,6-10,15H2,1-4H3
InChIKeyYMPCYHHASLSERD-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.18
Rot. Bonds3

About 2-(aminomethyl)-4,4-dimethyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one

2-(aminomethyl)-4,4-dimethyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one (PubChem CID 107472799) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
PubChem CID107472799
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(aminomethyl)-4,4-dimethyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
SMILESCC1=CCN(C(=O)C(CN)CC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O/c1-11-5-7-16(8-6-11)13(17)12(10-15)9-14(2,3)4/h5,12H,6-10,15H2,1-4H3
InChIKeyYMPCYHHASLSERD-UHFFFAOYSA-N
XLogP2.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one (CID 107472799) is 2-(aminomethyl)-4,4-dimethyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one is CC1=CCN(C(=O)C(CN)CC(C)(C)C)CC1.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
The InChIKey is YMPCYHHASLSERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-5-7-16(8-6-11)13(17)12(10-15)9-14(2,3)4/h5,12H,6-10,15H2,1-4H3.
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
2-(aminomethyl)-4,4-dimethyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one is sourced from PubChem (CID 107472799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).