N-ethyl-2,5-dimethyloct-1-en-4-amine

C12H25N — CID 105004257

IUPACN-ethyl-2,5-dimethyloct-1-en-4-amine
SMILESC=C(C)CC(NCC)C(C)CCC
InChIInChI=1S/C12H25N/c1-6-8-11(5)12(13-7-2)9-10(3)4/h11-13H,3,6-9H2,1-2,4-5H3
InChIKeyNJEHVKJNOYVEPR-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.37
Rot. Bonds7

About N-ethyl-2,5-dimethyloct-1-en-4-amine

N-ethyl-2,5-dimethyloct-1-en-4-amine (PubChem CID 105004257) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyloct-1-en-4-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyloct-1-en-4-amine
PubChem CID105004257
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-ethyl-2,5-dimethyloct-1-en-4-amine
SMILESC=C(C)CC(NCC)C(C)CCC
InChIInChI=1S/C12H25N/c1-6-8-11(5)12(13-7-2)9-10(3)4/h11-13H,3,6-9H2,1-2,4-5H3
InChIKeyNJEHVKJNOYVEPR-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-2,5-dimethyloct-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

N-ethyl-2,4-dimethylhept-1-en-3-amine
CID 105005538
(4S)-N-ethyl-5-methylnonan-4-amine
CID 138564824
N-ethyl-4-methyldec-9-en-5-amine
CID 104987082
N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine
CID 105024244
N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine
CID 107893604
(2S,3R)-N-ethyl-3-methylhexan-2-amine
CID 51891368
5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine
CID 116725749
N-ethyl-4,6-dimethylhept-6-en-2-amine
CID 79186327
N-ethyl-2-methoxy-6-methylhept-6-en-3-amine
CID 114475383
6-(ethylamino)-2-methylhept-1-en-4-one
CID 116566821
5-ethyl-2-methyl-N-propylhept-1-en-4-amine
CID 105004318
1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine
CID 114013601

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethyloct-1-en-4-amine?
The IUPAC name of N-ethyl-2,5-dimethyloct-1-en-4-amine (CID 105004257) is N-ethyl-2,5-dimethyloct-1-en-4-amine.
What is the SMILES notation for N-ethyl-2,5-dimethyloct-1-en-4-amine?
The canonical SMILES for N-ethyl-2,5-dimethyloct-1-en-4-amine is C=C(C)CC(NCC)C(C)CCC.
What is the InChIKey of N-ethyl-2,5-dimethyloct-1-en-4-amine?
The InChIKey is NJEHVKJNOYVEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-8-11(5)12(13-7-2)9-10(3)4/h11-13H,3,6-9H2,1-2,4-5H3.
What are the key properties of N-ethyl-2,5-dimethyloct-1-en-4-amine?
N-ethyl-2,5-dimethyloct-1-en-4-amine has a molecular weight of 183.34 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethyloct-1-en-4-amine is sourced from PubChem (CID 105004257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).