N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine

C14H25N3 — CID 63694909

IUPACN'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCC(N)c1ccccc1N(C)CCCN(C)C
InChIInChI=1S/C14H25N3/c1-12(15)13-8-5-6-9-14(13)17(4)11-7-10-16(2)3/h5-6,8-9,12H,7,10-11,15H2,1-4H3
InChIKeyXSWJGRFHXGSRID-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.09
Rot. Bonds6

About N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63694909) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63694909
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCC(N)c1ccccc1N(C)CCCN(C)C
InChIInChI=1S/C14H25N3/c1-12(15)13-8-5-6-9-14(13)17(4)11-7-10-16(2)3/h5-6,8-9,12H,7,10-11,15H2,1-4H3
InChIKeyXSWJGRFHXGSRID-UHFFFAOYSA-N
XLogP2.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol
CID 78948192
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2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 78935486
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
CID 79009081
2-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)aniline
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3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile
CID 43188866
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989
1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935252
N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine
CID 28772740
N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 78935470
2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline
CID 43295960
2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 43188910

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63694909) is N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine is CC(N)c1ccccc1N(C)CCCN(C)C.
What is the InChIKey of N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is XSWJGRFHXGSRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(15)13-8-5-6-9-14(13)17(4)11-7-10-16(2)3/h5-6,8-9,12H,7,10-11,15H2,1-4H3.
What are the key properties of N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63694909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).