2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C18H31N3 — CID 103188232

IUPAC2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C(CN)c1cccc(C2CC2)c1
InChIInChI=1S/C18H31N3/c1-5-21(14(2)13-20(3)4)18(12-19)17-8-6-7-16(11-17)15-9-10-15/h6-8,11,14-15,18H,5,9-10,12-13,19H2,1-4H3
InChIKeyUEUKRAKUPMSEPS-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.84
Rot. Bonds8

About 2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103188232) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103188232
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C(CN)c1cccc(C2CC2)c1
InChIInChI=1S/C18H31N3/c1-5-21(14(2)13-20(3)4)18(12-19)17-8-6-7-16(11-17)15-9-10-15/h6-8,11,14-15,18H,5,9-10,12-13,19H2,1-4H3
InChIKeyUEUKRAKUPMSEPS-UHFFFAOYSA-N
XLogP2.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

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CID 70048
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N-Benzyl-N,N'-dimethylethylenediamine
CID 66016
1-(1,2-Diphenylethyl)piperazine
CID 12263801
N-benzyl-N-isobutylpiperidin-4-amine
CID 44411431
1-(1-Phenyl-2-o-tolylethyl)piperazine
CID 44414708

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103188232) is 2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(C(C)CN(C)C)C(CN)c1cccc(C2CC2)c1.
What is the InChIKey of 2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is UEUKRAKUPMSEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-21(14(2)13-20(3)4)18(12-19)17-8-6-7-16(11-17)15-9-10-15/h6-8,11,14-15,18H,5,9-10,12-13,19H2,1-4H3.
What are the key properties of 2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103188232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).