N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine

C17H29N3 — CID 62655954

IUPACN'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine
SMILESCN1CCCC(CNCCCN(C)c2ccccc2)C1
InChIInChI=1S/C17H29N3/c1-19-12-6-8-16(15-19)14-18-11-7-13-20(2)17-9-4-3-5-10-17/h3-5,9-10,16,18H,6-8,11-15H2,1-2H3
InChIKeyNUGOUQIGADGOHJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.44
Rot. Bonds7

About N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine

N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine (PubChem CID 62655954) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine
PubChem CID62655954
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine
SMILESCN1CCCC(CNCCCN(C)c2ccccc2)C1
InChIInChI=1S/C17H29N3/c1-19-12-6-8-16(15-19)14-18-11-7-13-20(2)17-9-4-3-5-10-17/h3-5,9-10,16,18H,6-8,11-15H2,1-2H3
InChIKeyNUGOUQIGADGOHJ-UHFFFAOYSA-N
XLogP2.44
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.44
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',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine
CID 62657185
N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine
CID 55099792
3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide
CID 115583169
N-methyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]propyl]aniline
CID 55081287
1-[3-(N-ethylanilino)propyl]-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111768034
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 115215684
N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine
CID 60856584
1-[(2R)-2-isocyanopyrrolidin-1-yl]-2-[3-(N-methylanilino)propylamino]ethanone;dihydrochloride
CID 160837655
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 61488484
3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile
CID 64538451
2-[2-[(1-methylpiperidin-3-yl)methylamino]ethoxy]benzoic acid
CID 103244398

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine (CID 62655954) is N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine is CN1CCCC(CNCCCN(C)c2ccccc2)C1.
What is the InChIKey of N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine?
The InChIKey is NUGOUQIGADGOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-19-12-6-8-16(15-19)14-18-11-7-13-20(2)17-9-4-3-5-10-17/h3-5,9-10,16,18H,6-8,11-15H2,1-2H3.
What are the key properties of N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine?
N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 62655954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).