1-N'-[2-(3,3-dimethylbut-1-en-2-ylamino)ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine

C18H37N3 — CID 155426562

IUPAC1-N'-[2-(3,3-dimethylbut-1-en-2-ylamino)ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine
SMILESC=C(N(C)CCNC(=C)C(C)(C)C)N(C)CCC(C)(C)C
InChIInChI=1S/C18H37N3/c1-15(18(6,7)8)19-12-14-21(10)16(2)20(9)13-11-17(3,4)5/h19H,1-2,11-14H2,3-10H3
InChIKeySOMYOGILERNNDV-UHFFFAOYSA-N
MW295.52 g/mol
LogP3.91
Rot. Bonds8

About 1-N'-[2-(3,3-dimethylbut-1-en-2-ylamino)ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine

1-N'-[2-(3,3-dimethylbut-1-en-2-ylamino)ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine (PubChem CID 155426562) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is 1-N'-[2-(3,3-dimethylbut-1-en-2-ylamino)ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[2-(3,3-dimethylbut-1-en-2-ylamino)ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine
PubChem CID155426562
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Name1-N'-[2-(3,3-dimethylbut-1-en-2-ylamino)ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine
SMILESC=C(N(C)CCNC(=C)C(C)(C)C)N(C)CCC(C)(C)C
InChIInChI=1S/C18H37N3/c1-15(18(6,7)8)19-12-14-21(10)16(2)20(9)13-11-17(3,4)5/h19H,1-2,11-14H2,3-10H3
InChIKeySOMYOGILERNNDV-UHFFFAOYSA-N
XLogP3.91
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[2-(3,3-dimethylbut-1-en-2-ylamino)ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine?
The IUPAC name of 1-N'-[2-(3,3-dimethylbut-1-en-2-ylamino)ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine (CID 155426562) is 1-N'-[2-(3,3-dimethylbut-1-en-2-ylamino)ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine.
What is the SMILES notation for 1-N'-[2-(3,3-dimethylbut-1-en-2-ylamino)ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine?
The canonical SMILES for 1-N'-[2-(3,3-dimethylbut-1-en-2-ylamino)ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine is C=C(N(C)CCNC(=C)C(C)(C)C)N(C)CCC(C)(C)C.
What is the InChIKey of 1-N'-[2-(3,3-dimethylbut-1-en-2-ylamino)ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine?
The InChIKey is SOMYOGILERNNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-15(18(6,7)8)19-12-14-21(10)16(2)20(9)13-11-17(3,4)5/h19H,1-2,11-14H2,3-10H3.
What are the key properties of 1-N'-[2-(3,3-dimethylbut-1-en-2-ylamino)ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine?
1-N'-[2-(3,3-dimethylbut-1-en-2-ylamino)ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine has a molecular weight of 295.52 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-(3,3-dimethylbut-1-en-2-ylamino)ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine is sourced from PubChem (CID 155426562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).