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

C8H17N — CID 129255783

IUPAC4,5-dimethylhex-1-en-2-amine
SMILESC=C(N)CC(C)C(C)C
InChIInChI=1S/C8H17N/c1-6(2)7(3)5-8(4)9/h6-7H,4-5,9H2,1-3H3
InChIKeyCASNVQOKGQFWAP-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.14
Rot. Bonds3

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

4,5-dimethylhex-1-en-2-amine (PubChem CID 129255783) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 4,5-dimethylhex-1-en-2-amine.

Molecular Properties

Compound Name4,5-dimethylhex-1-en-2-amine
PubChem CID129255783
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name4,5-dimethylhex-1-en-2-amine
SMILESC=C(N)CC(C)C(C)C
InChIInChI=1S/C8H17N/c1-6(2)7(3)5-8(4)9/h6-7H,4-5,9H2,1-3H3
InChIKeyCASNVQOKGQFWAP-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,5,6,7-tetramethyloct-1-en-2-amine
CID 155010763
4-aminopent-4-en-2-ol
CID 88961101
1-(4,5-dimethylhex-1-en-2-yl)-1-azacycloprop-2-yne
CID 167039283
4,5-dimethyl-2-methylidenehexanoic acid
CID 88826259
N-formyl-3,4-dimethyl-N-propan-2-ylpentanamide
CID 137397134
4-(2-methylpropyl)hepta-1,6-dien-2-amine
CID 138535342
2-(2-aminoprop-2-enyl)propanedioic acid
CID 87757863
2-methylpropane;prop-1-en-2-amine
CID 174893746
4-hydroxy-2-propan-2-ylpent-4-enamide
CID 145216549
2,6,7-trimethylocta-1,3-diene
CID 123885530
3-N,3-N,4-trimethylpent-1-ene-2,3-diamine
CID 156737008
methyl 3,4-dimethylpentanoate
CID 554058

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylhex-1-en-2-amine?
The IUPAC name of 4,5-dimethylhex-1-en-2-amine (CID 129255783) is 4,5-dimethylhex-1-en-2-amine.
What is the SMILES notation for 4,5-dimethylhex-1-en-2-amine?
The canonical SMILES for 4,5-dimethylhex-1-en-2-amine is C=C(N)CC(C)C(C)C.
What is the InChIKey of 4,5-dimethylhex-1-en-2-amine?
The InChIKey is CASNVQOKGQFWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-6(2)7(3)5-8(4)9/h6-7H,4-5,9H2,1-3H3.
What are the key properties of 4,5-dimethylhex-1-en-2-amine?
4,5-dimethylhex-1-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylhex-1-en-2-amine is sourced from PubChem (CID 129255783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).