2-ethyl-2,5-dimethylhex-4-en-1-amine

C10H21N — CID 130514715

IUPAC2-ethyl-2,5-dimethylhex-4-en-1-amine
SMILESCCC(C)(CN)CC=C(C)C
InChIInChI=1S/C10H21N/c1-5-10(4,8-11)7-6-9(2)3/h6H,5,7-8,11H2,1-4H3
InChIKeyTZLBXQOVTQWWKG-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.72
Rot. Bonds4

About 2-ethyl-2,5-dimethylhex-4-en-1-amine

2-ethyl-2,5-dimethylhex-4-en-1-amine (PubChem CID 130514715) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2-ethyl-2,5-dimethylhex-4-en-1-amine.

Molecular Properties

Compound Name2-ethyl-2,5-dimethylhex-4-en-1-amine
PubChem CID130514715
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2-ethyl-2,5-dimethylhex-4-en-1-amine
SMILESCCC(C)(CN)CC=C(C)C
InChIInChI=1S/C10H21N/c1-5-10(4,8-11)7-6-9(2)3/h6H,5,7-8,11H2,1-4H3
InChIKeyTZLBXQOVTQWWKG-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
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

5-ethyl-2,5-dimethylhept-2-ene
CID 123530387
(3R)-3-ethyl-3,6-dimethylhept-5-en-2-one
CID 118389184
3-ethyl-3,6-dimethylhepta-1,5-diene
CID 54216224
4-(aminomethyl)-2,4-dimethylhexan-2-ol
CID 89363832
2-methyl-2-(phosphanylmethyl)butan-1-amine
CID 123759259
6-ethyl-6,9-dimethyldec-8-en-5-ol
CID 118389079
4,4-diethyl-7-methyloct-6-enal
CID 156744468
2-hydroxy-2,5-dimethylhex-4-enamide
CID 140574354
2-methyl-2-[(methylideneamino)methyl]butan-1-amine
CID 163789947
5-methoxy-2,5-dimethylhex-2-ene
CID 10351802
3-ethyl-3-methylpentane;methanol
CID 143799596
(2E)-3,4,4,7-tetramethylocta-2,6-dienal
CID 12813408

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5-dimethylhex-4-en-1-amine?
The IUPAC name of 2-ethyl-2,5-dimethylhex-4-en-1-amine (CID 130514715) is 2-ethyl-2,5-dimethylhex-4-en-1-amine.
What is the SMILES notation for 2-ethyl-2,5-dimethylhex-4-en-1-amine?
The canonical SMILES for 2-ethyl-2,5-dimethylhex-4-en-1-amine is CCC(C)(CN)CC=C(C)C.
What is the InChIKey of 2-ethyl-2,5-dimethylhex-4-en-1-amine?
The InChIKey is TZLBXQOVTQWWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-10(4,8-11)7-6-9(2)3/h6H,5,7-8,11H2,1-4H3.
What are the key properties of 2-ethyl-2,5-dimethylhex-4-en-1-amine?
2-ethyl-2,5-dimethylhex-4-en-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5-dimethylhex-4-en-1-amine is sourced from PubChem (CID 130514715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).