1-N'-(3,4-dimethylpentyl)-1-N'-methylethene-1,1-diamine

C10H22N2 — CID 142313189

IUPAC1-N'-(3,4-dimethylpentyl)-1-N'-methylethene-1,1-diamine
SMILESC=C(N)N(C)CCC(C)C(C)C
InChIInChI=1S/C10H22N2/c1-8(2)9(3)6-7-12(5)10(4)11/h8-9H,4,6-7,11H2,1-3,5H3
InChIKeyJTJRDAXQWVSADJ-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.03
Rot. Bonds5

About 1-N'-(3,4-dimethylpentyl)-1-N'-methylethene-1,1-diamine

1-N'-(3,4-dimethylpentyl)-1-N'-methylethene-1,1-diamine (PubChem CID 142313189) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-N'-(3,4-dimethylpentyl)-1-N'-methylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-(3,4-dimethylpentyl)-1-N'-methylethene-1,1-diamine
PubChem CID142313189
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-N'-(3,4-dimethylpentyl)-1-N'-methylethene-1,1-diamine
SMILESC=C(N)N(C)CCC(C)C(C)C
InChIInChI=1S/C10H22N2/c1-8(2)9(3)6-7-12(5)10(4)11/h8-9H,4,6-7,11H2,1-3,5H3
InChIKeyJTJRDAXQWVSADJ-UHFFFAOYSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N'-(4-methylpentyl)ethene-1,1-diamine
CID 18722196
1-(4-Methylpiperidin-1-yl)ethenamine
CID 21341319
1-(3-Methylpiperidin-1-yl)ethenamine
CID 22943346
1-(3,5-Dimethylpiperidin-1-yl)ethenamine
CID 89325074
1-N'-(4,5-dimethylhexyl)ethene-1,1-diamine
CID 90145871
1-(4-Propan-2-ylpiperidin-1-yl)ethenamine
CID 122469907
1-(4-Ethylpiperidin-1-yl)ethenamine
CID 141851290
ethane;1-N'-(4-methylpentyl)ethene-1,1-diamine
CID 142402925
Ethane;1-(4-methylpiperidin-1-yl)ethenamine
CID 143246259
Ethane;1-(4-methylpiperidin-1-yl)ethenamine
CID 143877129
1-N'-methyl-1-N'-(4-methylpentyl)ethene-1,1-diamine
CID 146262775
1-N'-methyl-1-N'-(4-methylhexyl)ethene-1,1-diamine
CID 147878744

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3,4-dimethylpentyl)-1-N'-methylethene-1,1-diamine?
The IUPAC name of 1-N'-(3,4-dimethylpentyl)-1-N'-methylethene-1,1-diamine (CID 142313189) is 1-N'-(3,4-dimethylpentyl)-1-N'-methylethene-1,1-diamine.
What is the SMILES notation for 1-N'-(3,4-dimethylpentyl)-1-N'-methylethene-1,1-diamine?
The canonical SMILES for 1-N'-(3,4-dimethylpentyl)-1-N'-methylethene-1,1-diamine is C=C(N)N(C)CCC(C)C(C)C.
What is the InChIKey of 1-N'-(3,4-dimethylpentyl)-1-N'-methylethene-1,1-diamine?
The InChIKey is JTJRDAXQWVSADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(2)9(3)6-7-12(5)10(4)11/h8-9H,4,6-7,11H2,1-3,5H3.
What are the key properties of 1-N'-(3,4-dimethylpentyl)-1-N'-methylethene-1,1-diamine?
1-N'-(3,4-dimethylpentyl)-1-N'-methylethene-1,1-diamine has a molecular weight of 170.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3,4-dimethylpentyl)-1-N'-methylethene-1,1-diamine is sourced from PubChem (CID 142313189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).