N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]prop-2-en-1-amine

C12H24N2 — CID 107069463

IUPACN,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]prop-2-en-1-amine
SMILESC=C(C)CN(C)CC1NCCCC1C
InChIInChI=1S/C12H24N2/c1-10(2)8-14(4)9-12-11(3)6-5-7-13-12/h11-13H,1,5-9H2,2-4H3
InChIKeyOPBKHHDXDRZBIY-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds4

About N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]prop-2-en-1-amine

N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]prop-2-en-1-amine (PubChem CID 107069463) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]prop-2-en-1-amine
PubChem CID107069463
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]prop-2-en-1-amine
SMILESC=C(C)CN(C)CC1NCCCC1C
InChIInChI=1S/C12H24N2/c1-10(2)8-14(4)9-12-11(3)6-5-7-13-12/h11-13H,1,5-9H2,2-4H3
InChIKeyOPBKHHDXDRZBIY-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-N-methyl-N-[(3-methylpiperidin-2-yl)methyl]methanamine
CID 107069267
N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]propan-1-amine
CID 107069000
N-methyl-N-[(3-methylpiperidin-2-yl)methyl]propan-2-amine
CID 107068970
(3-methylpiperidin-2-yl)methanol
CID 19898861
N-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-1-amine
CID 107068950
(3-methylpiperidin-2-yl)methanol;hydrochloride
CID 71756911
N,N-dimethyl-2-(3-methylpiperidin-2-yl)acetamide
CID 107147512
N,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine
CID 107069129
N-methyl-N-[(3-methylpiperidin-2-yl)methyl]pentan-2-amine
CID 107069020
N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen
CID 170747493
N-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 107069286
N,N-dimethyl-1-(3-methylpyrrolidin-2-yl)methanamine
CID 103846085

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]prop-2-en-1-amine (CID 107069463) is N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]prop-2-en-1-amine is C=C(C)CN(C)CC1NCCCC1C.
What is the InChIKey of N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]prop-2-en-1-amine?
The InChIKey is OPBKHHDXDRZBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)8-14(4)9-12-11(3)6-5-7-13-12/h11-13H,1,5-9H2,2-4H3.
What are the key properties of N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]prop-2-en-1-amine?
N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]prop-2-en-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 107069463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).