N,2-dimethyloct-5-en-3-amine

C10H21N — CID 170847794

IUPACN,2-dimethyloct-5-en-3-amine
SMILESCCC=CCC(NC)C(C)C
InChIInChI=1S/C10H21N/c1-5-6-7-8-10(11-4)9(2)3/h6-7,9-11H,5,8H2,1-4H3
InChIKeyBVINGKCEIHCYBF-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.59
Rot. Bonds5

About N,2-dimethyloct-5-en-3-amine

N,2-dimethyloct-5-en-3-amine (PubChem CID 170847794) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N,2-dimethyloct-5-en-3-amine.

Molecular Properties

Compound NameN,2-dimethyloct-5-en-3-amine
PubChem CID170847794
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN,2-dimethyloct-5-en-3-amine
SMILESCCC=CCC(NC)C(C)C
InChIInChI=1S/C10H21N/c1-5-6-7-8-10(11-4)9(2)3/h6-7,9-11H,5,8H2,1-4H3
InChIKeyBVINGKCEIHCYBF-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Isometheptene
CID 22297
Dexisometheptene
CID 24871315
Isometheptene-mucate
CID 6604597
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
4-Hexenylamine, N,1,2,5-tetramethyl-
CID 49627
Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
4-Hexenylamine, N,1-dimethyl-
CID 6435019
(2,6-Dimethylhept-5-en-1-yl)(methyl)amine
CID 146817482
6-methyl-N-prop-2-enylhept-1-en-4-amine
CID 134859993
N,5-dimethylhex-4-en-2-amine
CID 123421000
(E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588160
(Z)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588161

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyloct-5-en-3-amine?
The IUPAC name of N,2-dimethyloct-5-en-3-amine (CID 170847794) is N,2-dimethyloct-5-en-3-amine.
What is the SMILES notation for N,2-dimethyloct-5-en-3-amine?
The canonical SMILES for N,2-dimethyloct-5-en-3-amine is CCC=CCC(NC)C(C)C.
What is the InChIKey of N,2-dimethyloct-5-en-3-amine?
The InChIKey is BVINGKCEIHCYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-6-7-8-10(11-4)9(2)3/h6-7,9-11H,5,8H2,1-4H3.
What are the key properties of N,2-dimethyloct-5-en-3-amine?
N,2-dimethyloct-5-en-3-amine has a molecular weight of 155.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyloct-5-en-3-amine is sourced from PubChem (CID 170847794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).