4-ethyl-4-N,4-N,2-trimethylhex-1-ene-3,4-diamine

C11H24N2 — CID 79177535

IUPAC4-ethyl-4-N,4-N,2-trimethylhex-1-ene-3,4-diamine
SMILESC=C(C)C(N)C(CC)(CC)N(C)C
InChIInChI=1S/C11H24N2/c1-7-11(8-2,13(5)6)10(12)9(3)4/h10H,3,7-8,12H2,1-2,4-6H3
InChIKeyRRYFAFHNQKXUQR-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.01
Rot. Bonds5

About 4-ethyl-4-N,4-N,2-trimethylhex-1-ene-3,4-diamine

4-ethyl-4-N,4-N,2-trimethylhex-1-ene-3,4-diamine (PubChem CID 79177535) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 4-ethyl-4-N,4-N,2-trimethylhex-1-ene-3,4-diamine.

Molecular Properties

Compound Name4-ethyl-4-N,4-N,2-trimethylhex-1-ene-3,4-diamine
PubChem CID79177535
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name4-ethyl-4-N,4-N,2-trimethylhex-1-ene-3,4-diamine
SMILESC=C(C)C(N)C(CC)(CC)N(C)C
InChIInChI=1S/C11H24N2/c1-7-11(8-2,13(5)6)10(12)9(3)4/h10H,3,7-8,12H2,1-2,4-6H3
InChIKeyRRYFAFHNQKXUQR-UHFFFAOYSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-N,4-N,2-trimethylhex-1-ene-3,4-diamine?
The IUPAC name of 4-ethyl-4-N,4-N,2-trimethylhex-1-ene-3,4-diamine (CID 79177535) is 4-ethyl-4-N,4-N,2-trimethylhex-1-ene-3,4-diamine.
What is the SMILES notation for 4-ethyl-4-N,4-N,2-trimethylhex-1-ene-3,4-diamine?
The canonical SMILES for 4-ethyl-4-N,4-N,2-trimethylhex-1-ene-3,4-diamine is C=C(C)C(N)C(CC)(CC)N(C)C.
What is the InChIKey of 4-ethyl-4-N,4-N,2-trimethylhex-1-ene-3,4-diamine?
The InChIKey is RRYFAFHNQKXUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-7-11(8-2,13(5)6)10(12)9(3)4/h10H,3,7-8,12H2,1-2,4-6H3.
What are the key properties of 4-ethyl-4-N,4-N,2-trimethylhex-1-ene-3,4-diamine?
4-ethyl-4-N,4-N,2-trimethylhex-1-ene-3,4-diamine has a molecular weight of 184.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-N,4-N,2-trimethylhex-1-ene-3,4-diamine is sourced from PubChem (CID 79177535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).