(3S)-2-methoxy-5-methylhex-1-en-3-amine

C8H17NO — CID 156883579

IUPAC(3S)-2-methoxy-5-methylhex-1-en-3-amine
SMILESC=C(OC)[C@@H](N)CC(C)C
InChIInChI=1S/C8H17NO/c1-6(2)5-8(9)7(3)10-4/h6,8H,3,5,9H2,1-2,4H3/t8-/m0/s1
InChIKeyRGZICOQTWQOXJX-QMMMGPOBSA-N
MW143.23 g/mol
LogP1.52
Rot. Bonds4

About (3S)-2-methoxy-5-methylhex-1-en-3-amine

(3S)-2-methoxy-5-methylhex-1-en-3-amine (PubChem CID 156883579) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3S)-2-methoxy-5-methylhex-1-en-3-amine.

Molecular Properties

Compound Name(3S)-2-methoxy-5-methylhex-1-en-3-amine
PubChem CID156883579
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3S)-2-methoxy-5-methylhex-1-en-3-amine
SMILESC=C(OC)[C@@H](N)CC(C)C
InChIInChI=1S/C8H17NO/c1-6(2)5-8(9)7(3)10-4/h6,8H,3,5,9H2,1-2,4H3/t8-/m0/s1
InChIKeyRGZICOQTWQOXJX-QMMMGPOBSA-N
XLogP1.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (3S)-2-methoxy-5-methylhex-1-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine
CID 163597620
2-(3-Aminohex-1-en-2-yloxy)hex-1-en-3-amine
CID 88168410
2-Ethoxy-5-methylhex-1-en-3-amine
CID 88997329
(3R)-2-methoxy-4-methylpent-1-en-3-amine
CID 118521566
(3R)-2-(5,5-dimethylhexoxy)-4-methylpent-1-en-3-amine
CID 118680737
(3S)-4-methyl-2-[(2-methylpropan-2-yl)oxy]pent-1-en-3-amine
CID 124115253
2-Butoxy-4-methylpent-1-en-3-amine
CID 126663156
2-Methoxy-8-methylnon-1-en-3-amine
CID 134583678
3-Butoxy-5-methylhepta-1,2-dien-4-amine
CID 139394807
2-Methoxy-5-methylhex-1-en-3-amine
CID 143142421
2-Methoxy-4-methylpent-1-en-3-amine
CID 143633727
(3R)-N,5-dimethyl-2-propan-2-yloxyhex-1-en-3-amine
CID 145642012

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methoxy-5-methylhex-1-en-3-amine?
The IUPAC name of (3S)-2-methoxy-5-methylhex-1-en-3-amine (CID 156883579) is (3S)-2-methoxy-5-methylhex-1-en-3-amine.
What is the SMILES notation for (3S)-2-methoxy-5-methylhex-1-en-3-amine?
The canonical SMILES for (3S)-2-methoxy-5-methylhex-1-en-3-amine is C=C(OC)[C@@H](N)CC(C)C.
What is the InChIKey of (3S)-2-methoxy-5-methylhex-1-en-3-amine?
The InChIKey is RGZICOQTWQOXJX-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)5-8(9)7(3)10-4/h6,8H,3,5,9H2,1-2,4H3/t8-/m0/s1.
What are the key properties of (3S)-2-methoxy-5-methylhex-1-en-3-amine?
(3S)-2-methoxy-5-methylhex-1-en-3-amine has a molecular weight of 143.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methoxy-5-methylhex-1-en-3-amine is sourced from PubChem (CID 156883579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).