N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine

C18H33N3 — CID 102992533

IUPACN'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CC(N)c1ccc(C)cc1
InChIInChI=1S/C18H33N3/c1-5-20(6-2)13-8-14-21(7-3)15-18(19)17-11-9-16(4)10-12-17/h9-12,18H,5-8,13-15,19H2,1-4H3
InChIKeyXBMSZIUPCLICDV-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.05
Rot. Bonds10

About N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine

N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102992533) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102992533
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CC(N)c1ccc(C)cc1
InChIInChI=1S/C18H33N3/c1-5-20(6-2)13-8-14-21(7-3)15-18(19)17-11-9-16(4)10-12-17/h9-12,18H,5-8,13-15,19H2,1-4H3
InChIKeyXBMSZIUPCLICDV-UHFFFAOYSA-N
XLogP3.05
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102992514
N'-ethyl-N'-(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 61448002
N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62619570
N'-[(2S)-2-amino-2-phenylethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 112737155
N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 79481346
N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695196
N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 61311067
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994511
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
N'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43273657
N'-(2-methoxyethyl)-1-(4-methylphenyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 54986790

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine (CID 102992533) is N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)CC(N)c1ccc(C)cc1.
What is the InChIKey of N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is XBMSZIUPCLICDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-20(6-2)13-8-14-21(7-3)15-18(19)17-11-9-16(4)10-12-17/h9-12,18H,5-8,13-15,19H2,1-4H3.
What are the key properties of N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 291.48 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102992533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).