N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine

C17H31N3 — CID 115464108

IUPACN'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCNCCc1ccccc1CN(C)CCCN(C)C
InChIInChI=1S/C17H31N3/c1-5-18-12-11-16-9-6-7-10-17(16)15-20(4)14-8-13-19(2)3/h6-7,9-10,18H,5,8,11-15H2,1-4H3
InChIKeyJZDMKQZHFWQTCF-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.22
Rot. Bonds10

About N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 115464108) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID115464108
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCNCCc1ccccc1CN(C)CCCN(C)C
InChIInChI=1S/C17H31N3/c1-5-18-12-11-16-9-6-7-10-17(16)15-20(4)14-8-13-19(2)3/h6-7,9-10,18H,5,8,11-15H2,1-4H3
InChIKeyJZDMKQZHFWQTCF-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
CID 115463670
N-ethyl-2-[2-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethanamine
CID 115464004
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-1-amine
CID 115463958
3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine
CID 115464856
N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine
CID 115464062
N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 61411427
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 115463664
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine
CID 115463481
N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435578
N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 63725478
N-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 115463733
2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol
CID 115349430

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 115464108) is N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine is CCNCCc1ccccc1CN(C)CCCN(C)C.
What is the InChIKey of N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is JZDMKQZHFWQTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-18-12-11-16-9-6-7-10-17(16)15-20(4)14-8-13-19(2)3/h6-7,9-10,18H,5,8,11-15H2,1-4H3.
What are the key properties of N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 277.46 g/mol, XLogP of 2.22, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 115464108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).