1-N'-methyl-1-N'-(4-methylhexyl)ethene-1,1-diamine

C10H22N2 — CID 147878744

IUPAC1-N'-methyl-1-N'-(4-methylhexyl)ethene-1,1-diamine
SMILESC=C(N)N(C)CCCC(C)CC
InChIInChI=1S/C10H22N2/c1-5-9(2)7-6-8-12(4)10(3)11/h9H,3,5-8,11H2,1-2,4H3
InChIKeyIAAJRCPKVUCEDO-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.17
Rot. Bonds6

About 1-N'-methyl-1-N'-(4-methylhexyl)ethene-1,1-diamine

1-N'-methyl-1-N'-(4-methylhexyl)ethene-1,1-diamine (PubChem CID 147878744) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-N'-methyl-1-N'-(4-methylhexyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-methyl-1-N'-(4-methylhexyl)ethene-1,1-diamine
PubChem CID147878744
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-N'-methyl-1-N'-(4-methylhexyl)ethene-1,1-diamine
SMILESC=C(N)N(C)CCCC(C)CC
InChIInChI=1S/C10H22N2/c1-5-9(2)7-6-8-12(4)10(3)11/h9H,3,5-8,11H2,1-2,4H3
InChIKeyIAAJRCPKVUCEDO-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N'-methyl-1-N'-(4-methylhexyl)ethene-1,1-diamine?
The IUPAC name of 1-N'-methyl-1-N'-(4-methylhexyl)ethene-1,1-diamine (CID 147878744) is 1-N'-methyl-1-N'-(4-methylhexyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N'-methyl-1-N'-(4-methylhexyl)ethene-1,1-diamine?
The canonical SMILES for 1-N'-methyl-1-N'-(4-methylhexyl)ethene-1,1-diamine is C=C(N)N(C)CCCC(C)CC.
What is the InChIKey of 1-N'-methyl-1-N'-(4-methylhexyl)ethene-1,1-diamine?
The InChIKey is IAAJRCPKVUCEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-9(2)7-6-8-12(4)10(3)11/h9H,3,5-8,11H2,1-2,4H3.
What are the key properties of 1-N'-methyl-1-N'-(4-methylhexyl)ethene-1,1-diamine?
1-N'-methyl-1-N'-(4-methylhexyl)ethene-1,1-diamine has a molecular weight of 170.30 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-methyl-1-N'-(4-methylhexyl)ethene-1,1-diamine is sourced from PubChem (CID 147878744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).