1-N'-(4,5-dimethylhexyl)ethene-1,1-diamine

C10H22N2 — CID 90145871

IUPAC1-N'-(4,5-dimethylhexyl)ethene-1,1-diamine
SMILESC=C(N)NCCCC(C)C(C)C
InChIInChI=1S/C10H22N2/c1-8(2)9(3)6-5-7-12-10(4)11/h8-9,12H,4-7,11H2,1-3H3
InChIKeyKAYPVKSUZCIJTI-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.08
Rot. Bonds6

About 1-N'-(4,5-dimethylhexyl)ethene-1,1-diamine

1-N'-(4,5-dimethylhexyl)ethene-1,1-diamine (PubChem CID 90145871) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-N'-(4,5-dimethylhexyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-(4,5-dimethylhexyl)ethene-1,1-diamine
PubChem CID90145871
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-N'-(4,5-dimethylhexyl)ethene-1,1-diamine
SMILESC=C(N)NCCCC(C)C(C)C
InChIInChI=1S/C10H22N2/c1-8(2)9(3)6-5-7-12-10(4)11/h8-9,12H,4-7,11H2,1-3H3
InChIKeyKAYPVKSUZCIJTI-UHFFFAOYSA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(4,5-dimethylhexyl)ethene-1,1-diamine?
The IUPAC name of 1-N'-(4,5-dimethylhexyl)ethene-1,1-diamine (CID 90145871) is 1-N'-(4,5-dimethylhexyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N'-(4,5-dimethylhexyl)ethene-1,1-diamine?
The canonical SMILES for 1-N'-(4,5-dimethylhexyl)ethene-1,1-diamine is C=C(N)NCCCC(C)C(C)C.
What is the InChIKey of 1-N'-(4,5-dimethylhexyl)ethene-1,1-diamine?
The InChIKey is KAYPVKSUZCIJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(2)9(3)6-5-7-12-10(4)11/h8-9,12H,4-7,11H2,1-3H3.
What are the key properties of 1-N'-(4,5-dimethylhexyl)ethene-1,1-diamine?
1-N'-(4,5-dimethylhexyl)ethene-1,1-diamine has a molecular weight of 170.30 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4,5-dimethylhexyl)ethene-1,1-diamine is sourced from PubChem (CID 90145871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).