4-ethyl-2-methylhex-1-ene-3,4-diamine

C9H20N2 — CID 143357893

IUPAC4-ethyl-2-methylhex-1-ene-3,4-diamine
SMILESC=C(C)C(N)C(N)(CC)CC
InChIInChI=1S/C9H20N2/c1-5-9(11,6-2)8(10)7(3)4/h8H,3,5-6,10-11H2,1-2,4H3
InChIKeyKAUISXUXABFCGD-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.41
Rot. Bonds4

About 4-ethyl-2-methylhex-1-ene-3,4-diamine

4-ethyl-2-methylhex-1-ene-3,4-diamine (PubChem CID 143357893) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-ethyl-2-methylhex-1-ene-3,4-diamine.

Molecular Properties

Compound Name4-ethyl-2-methylhex-1-ene-3,4-diamine
PubChem CID143357893
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name4-ethyl-2-methylhex-1-ene-3,4-diamine
SMILESC=C(C)C(N)C(N)(CC)CC
InChIInChI=1S/C9H20N2/c1-5-9(11,6-2)8(10)7(3)4/h8H,3,5-6,10-11H2,1-2,4H3
InChIKeyKAUISXUXABFCGD-UHFFFAOYSA-N
XLogP1.41
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-2-methylhex-1-ene-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-4-N,4-N,2-trimethylhex-1-ene-3,4-diamine
CID 79177535
2,4,4-trimethylpent-1-en-3-amine
CID 15063448
4-ethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine
CID 79179296
(3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol
CID 146552954
ethane;methanamine;2-methylbut-1-ene;2-methylpropane
CID 142055312
butan-2-amine;tetrakis(2-methylbut-1-ene)
CID 158391457
ethyl (2S)-2-hydroxy-3-methylbut-3-enoate
CID 129371875
2-amino-4,5-dimethylhex-5-en-2-ol
CID 138459960
3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
CID 160814683
5-amino-5-ethyl-2-methylhept-1-en-4-one
CID 116592784
bis(2-methylprop-1-ene);propane
CID 159493997
3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine
CID 55284564

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylhex-1-ene-3,4-diamine?
The IUPAC name of 4-ethyl-2-methylhex-1-ene-3,4-diamine (CID 143357893) is 4-ethyl-2-methylhex-1-ene-3,4-diamine.
What is the SMILES notation for 4-ethyl-2-methylhex-1-ene-3,4-diamine?
The canonical SMILES for 4-ethyl-2-methylhex-1-ene-3,4-diamine is C=C(C)C(N)C(N)(CC)CC.
What is the InChIKey of 4-ethyl-2-methylhex-1-ene-3,4-diamine?
The InChIKey is KAUISXUXABFCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-9(11,6-2)8(10)7(3)4/h8H,3,5-6,10-11H2,1-2,4H3.
What are the key properties of 4-ethyl-2-methylhex-1-ene-3,4-diamine?
4-ethyl-2-methylhex-1-ene-3,4-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylhex-1-ene-3,4-diamine is sourced from PubChem (CID 143357893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).