(3S)-2,5-dimethylhex-1-en-3-amine

C8H17N — CID 88968253

IUPAC(3S)-2,5-dimethylhex-1-en-3-amine
SMILESC=C(C)[C@@H](N)CC(C)C
InChIInChI=1S/C8H17N/c1-6(2)5-8(9)7(3)4/h6,8H,3,5,9H2,1-2,4H3/t8-/m0/s1
InChIKeyCIHZXSPNRZFRFG-QMMMGPOBSA-N
MW127.23 g/mol
LogP1.94
Rot. Bonds3

About (3S)-2,5-dimethylhex-1-en-3-amine

(3S)-2,5-dimethylhex-1-en-3-amine (PubChem CID 88968253) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (3S)-2,5-dimethylhex-1-en-3-amine.

Molecular Properties

Compound Name(3S)-2,5-dimethylhex-1-en-3-amine
PubChem CID88968253
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(3S)-2,5-dimethylhex-1-en-3-amine
SMILESC=C(C)[C@@H](N)CC(C)C
InChIInChI=1S/C8H17N/c1-6(2)5-8(9)7(3)4/h6,8H,3,5,9H2,1-2,4H3/t8-/m0/s1
InChIKeyCIHZXSPNRZFRFG-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-2,5-dimethylhex-1-en-3-amine?
The IUPAC name of (3S)-2,5-dimethylhex-1-en-3-amine (CID 88968253) is (3S)-2,5-dimethylhex-1-en-3-amine.
What is the SMILES notation for (3S)-2,5-dimethylhex-1-en-3-amine?
The canonical SMILES for (3S)-2,5-dimethylhex-1-en-3-amine is C=C(C)[C@@H](N)CC(C)C.
What is the InChIKey of (3S)-2,5-dimethylhex-1-en-3-amine?
The InChIKey is CIHZXSPNRZFRFG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17N/c1-6(2)5-8(9)7(3)4/h6,8H,3,5,9H2,1-2,4H3/t8-/m0/s1.
What are the key properties of (3S)-2,5-dimethylhex-1-en-3-amine?
(3S)-2,5-dimethylhex-1-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 (3S)-2,5-dimethylhex-1-en-3-amine is sourced from PubChem (CID 88968253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).