N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine

C17H31N3 — CID 63699665

IUPACN'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
SMILESCCNC(CCN(C)CCCN(C)C)c1ccccc1
InChIInChI=1S/C17H31N3/c1-5-18-17(16-10-7-6-8-11-16)12-15-20(4)14-9-13-19(2)3/h6-8,10-11,17-18H,5,9,12-15H2,1-4H3
InChIKeyMXIGQVVVHMXUBX-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.61
Rot. Bonds10

About N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine

N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine (PubChem CID 63699665) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
PubChem CID63699665
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
SMILESCCNC(CCN(C)CCCN(C)C)c1ccccc1
InChIInChI=1S/C17H31N3/c1-5-18-17(16-10-7-6-8-11-16)12-15-20(4)14-9-13-19(2)3/h6-8,10-11,17-18H,5,9,12-15H2,1-4H3
InChIKeyMXIGQVVVHMXUBX-UHFFFAOYSA-N
XLogP2.61
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63700866
N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613091
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63699477
N-ethyl-N'-methyl-1-phenyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79490107
N-ethyl-N'-methyl-1-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612447
N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63008472
N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62611599
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62643420
1-(4-bromophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 55098939
N'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine
CID 63493603
N'-cyclopropyl-N-ethyl-1-phenyl-N'-propylpropane-1,3-diamine
CID 62612116
N'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693986

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine (CID 63699665) is N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine is CCNC(CCN(C)CCCN(C)C)c1ccccc1.
What is the InChIKey of N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine?
The InChIKey is MXIGQVVVHMXUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-18-17(16-10-7-6-8-11-16)12-15-20(4)14-9-13-19(2)3/h6-8,10-11,17-18H,5,9,12-15H2,1-4H3.
What are the key properties of N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine?
N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine has a molecular weight of 277.46 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 63699665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).