4,5-dimethyloct-4-en-2-amine

C10H21N — CID 123398883

IUPAC4,5-dimethyloct-4-en-2-amine
SMILESCCCC(C)=C(C)CC(C)N
InChIInChI=1S/C10H21N/c1-5-6-8(2)9(3)7-10(4)11/h10H,5-7,11H2,1-4H3
InChIKeyYNVZIXAOPIXVFZ-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.86
Rot. Bonds4

About 4,5-dimethyloct-4-en-2-amine

4,5-dimethyloct-4-en-2-amine (PubChem CID 123398883) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 4,5-dimethyloct-4-en-2-amine.

Molecular Properties

Compound Name4,5-dimethyloct-4-en-2-amine
PubChem CID123398883
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name4,5-dimethyloct-4-en-2-amine
SMILESCCCC(C)=C(C)CC(C)N
InChIInChI=1S/C10H21N/c1-5-6-8(2)9(3)7-10(4)11/h10H,5-7,11H2,1-4H3
InChIKeyYNVZIXAOPIXVFZ-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.86
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

(E)-4,5-dimethyloct-4-ene
CID 12714364
2-aminooctan-4-one
CID 116555826
(Z)-3,4-dimethylhept-3-ene;ethane;propane
CID 144674690
5-methyloct-4-en-4-amine
CID 176900512
2,3-dimethylhex-2-ene;ethane
CID 144601748
propyl 3-aminobutanoate
CID 43247954
butan-2-amine;butane;ethane;propan-2-one
CID 143332762
(E)-N-butan-2-yl-N,3-dimethylhex-2-en-2-amine
CID 129237962
2-aminopropyl butanoate
CID 87536199
6,7-dimethyldeca-2,6-diene
CID 91199113
1-aminoethanol;butanoic acid
CID 173051358
3-amino-N,N-dipropylbutanamide
CID 60836307

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyloct-4-en-2-amine?
The IUPAC name of 4,5-dimethyloct-4-en-2-amine (CID 123398883) is 4,5-dimethyloct-4-en-2-amine.
What is the SMILES notation for 4,5-dimethyloct-4-en-2-amine?
The canonical SMILES for 4,5-dimethyloct-4-en-2-amine is CCCC(C)=C(C)CC(C)N.
What is the InChIKey of 4,5-dimethyloct-4-en-2-amine?
The InChIKey is YNVZIXAOPIXVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-6-8(2)9(3)7-10(4)11/h10H,5-7,11H2,1-4H3.
What are the key properties of 4,5-dimethyloct-4-en-2-amine?
4,5-dimethyloct-4-en-2-amine has a molecular weight of 155.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyloct-4-en-2-amine is sourced from PubChem (CID 123398883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).