N,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine

C17H29N3 — CID 62545562

IUPACN,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine
SMILESCCCNCc1ccccc1N(C)C1CCCN(C)C1
InChIInChI=1S/C17H29N3/c1-4-11-18-13-15-8-5-6-10-17(15)20(3)16-9-7-12-19(2)14-16/h5-6,8,10,16,18H,4,7,9,11-14H2,1-3H3
InChIKeyGEJYRMNYEDRRJU-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.72
Rot. Bonds6

About N,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine

N,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine (PubChem CID 62545562) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine
PubChem CID62545562
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine
SMILESCCCNCc1ccccc1N(C)C1CCCN(C)C1
InChIInChI=1S/C17H29N3/c1-4-11-18-13-15-8-5-6-10-17(15)20(3)16-9-7-12-19(2)14-16/h5-6,8,10,16,18H,4,7,9,11-14H2,1-3H3
InChIKeyGEJYRMNYEDRRJU-UHFFFAOYSA-N
XLogP2.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 43281753
N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 63551560
2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde
CID 55084333
N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62422996
4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768705
5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847949
N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine
CID 63165160
N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 62279254
N-[2-chloro-4-(ethylaminomethyl)phenyl]-N,1-dimethylpiperidin-3-amine
CID 81148886
N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 62545615
4-chloro-N-cyclohexyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847451
N-cycloheptyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247077

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine?
The IUPAC name of N,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine (CID 62545562) is N,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine.
What is the SMILES notation for N,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine?
The canonical SMILES for N,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine is CCCNCc1ccccc1N(C)C1CCCN(C)C1.
What is the InChIKey of N,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine?
The InChIKey is GEJYRMNYEDRRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-11-18-13-15-8-5-6-10-17(15)20(3)16-9-7-12-19(2)14-16/h5-6,8,10,16,18H,4,7,9,11-14H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine?
N,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine has a molecular weight of 275.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine is sourced from PubChem (CID 62545562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).