6,8,8-trimethylnon-1-en-4-amine

C12H25N — CID 115813808

IUPAC6,8,8-trimethylnon-1-en-4-amine
SMILESC=CCC(N)CC(C)CC(C)(C)C
InChIInChI=1S/C12H25N/c1-6-7-11(13)8-10(2)9-12(3,4)5/h6,10-11H,1,7-9,13H2,2-5H3
InChIKeyRQBYXQIJJUGEOC-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.35
Rot. Bonds5

About 6,8,8-trimethylnon-1-en-4-amine

6,8,8-trimethylnon-1-en-4-amine (PubChem CID 115813808) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 6,8,8-trimethylnon-1-en-4-amine.

Molecular Properties

Compound Name6,8,8-trimethylnon-1-en-4-amine
PubChem CID115813808
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name6,8,8-trimethylnon-1-en-4-amine
SMILESC=CCC(N)CC(C)CC(C)(C)C
InChIInChI=1S/C12H25N/c1-6-7-11(13)8-10(2)9-12(3,4)5/h6,10-11H,1,7-9,13H2,2-5H3
InChIKeyRQBYXQIJJUGEOC-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6,8,8-trimethylnon-1-en-4-amine 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

2,2,4-trimethyltridec-12-en-6-amine
CID 107012033
(4S)-6-methylhept-1-en-4-amine
CID 55284878
2,2,4,8,10-pentamethylundecan-6-amine
CID 114201813
3,7,9,9-tetramethyldecan-5-amine
CID 115846063
1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine
CID 104992603
(4S,6S)-6,10-dimethylundeca-1,9-dien-4-amine
CID 11954735
5,7,7-trimethyloct-1-en-3-ylhydrazine
CID 105317975
8,10,10-trimethylundec-1-en-6-ylhydrazine
CID 105311247
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
6,8,8-trimethylnon-1-ene
CID 55273877
1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine
CID 115865137
1,1-dichloro-3,5,5-trimethylhexane
CID 91082189

Frequently Asked Questions

What is the IUPAC name of 6,8,8-trimethylnon-1-en-4-amine?
The IUPAC name of 6,8,8-trimethylnon-1-en-4-amine (CID 115813808) is 6,8,8-trimethylnon-1-en-4-amine.
What is the SMILES notation for 6,8,8-trimethylnon-1-en-4-amine?
The canonical SMILES for 6,8,8-trimethylnon-1-en-4-amine is C=CCC(N)CC(C)CC(C)(C)C.
What is the InChIKey of 6,8,8-trimethylnon-1-en-4-amine?
The InChIKey is RQBYXQIJJUGEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-7-11(13)8-10(2)9-12(3,4)5/h6,10-11H,1,7-9,13H2,2-5H3.
What are the key properties of 6,8,8-trimethylnon-1-en-4-amine?
6,8,8-trimethylnon-1-en-4-amine has a molecular weight of 183.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,8-trimethylnon-1-en-4-amine is sourced from PubChem (CID 115813808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).