2,5-dimethylhex-5-en-3-amine

C8H17N — CID 79177176

IUPAC2,5-dimethylhex-5-en-3-amine
SMILESC=C(C)CC(N)C(C)C
InChIInChI=1S/C8H17N/c1-6(2)5-8(9)7(3)4/h7-8H,1,5,9H2,2-4H3
InChIKeyZGBIIAFLUFTMBY-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.94
Rot. Bonds3

About 2,5-dimethylhex-5-en-3-amine

2,5-dimethylhex-5-en-3-amine (PubChem CID 79177176) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2,5-dimethylhex-5-en-3-amine.

Molecular Properties

Compound Name2,5-dimethylhex-5-en-3-amine
PubChem CID79177176
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2,5-dimethylhex-5-en-3-amine
SMILESC=C(C)CC(N)C(C)C
InChIInChI=1S/C8H17N/c1-6(2)5-8(9)7(3)4/h7-8H,1,5,9H2,2-4H3
InChIKeyZGBIIAFLUFTMBY-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.94
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-methyl-2-methylsulfonylhex-5-en-3-amine
CID 105004195
2-methyl-5-methylideneheptan-3-amine
CID 66044107
4-methyl-1-propan-2-ylsulfanylpent-4-en-2-amine
CID 79185837
2,4-dimethylpent-1-ene;ethane
CID 143336990
6-methylhept-6-ene-2,4-diol
CID 57030596
3-amino-2-methyl-7-methylidenenonan-5-one
CID 116606461
2,7-dimethyl-5-prop-1-en-2-yloctan-3-amine
CID 134365141
3,5-dimethylhex-5-en-1-amine
CID 81013069
(2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol
CID 87115699
butan-2-amine;tetrakis(2-methylbut-1-ene)
CID 158391457
acetic acid;methyl (3S)-3-amino-4-methylpentanoate
CID 119081529
3,6-dimethyl-4-propylhept-6-en-2-amine
CID 134183824

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhex-5-en-3-amine?
The IUPAC name of 2,5-dimethylhex-5-en-3-amine (CID 79177176) is 2,5-dimethylhex-5-en-3-amine.
What is the SMILES notation for 2,5-dimethylhex-5-en-3-amine?
The canonical SMILES for 2,5-dimethylhex-5-en-3-amine is C=C(C)CC(N)C(C)C.
What is the InChIKey of 2,5-dimethylhex-5-en-3-amine?
The InChIKey is ZGBIIAFLUFTMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-6(2)5-8(9)7(3)4/h7-8H,1,5,9H2,2-4H3.
What are the key properties of 2,5-dimethylhex-5-en-3-amine?
2,5-dimethylhex-5-en-3-amine has a molecular weight of 127.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhex-5-en-3-amine is sourced from PubChem (CID 79177176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).