(3R)-5-methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine

C11H23NO — CID 178163292

IUPAC(3R)-5-methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine
SMILESC=C(OC(C)(C)C)[C@H](N)CC(C)C
InChIInChI=1S/C11H23NO/c1-8(2)7-10(12)9(3)13-11(4,5)6/h8,10H,3,7,12H2,1-2,4-6H3/t10-/m1/s1
InChIKeyGBSACQPBPVKTKO-SNVBAGLBSA-N
MW185.31 g/mol
LogP2.69
Rot. Bonds4

About (3R)-5-methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine

(3R)-5-methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine (PubChem CID 178163292) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3R)-5-methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine.

Molecular Properties

Compound Name(3R)-5-methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine
PubChem CID178163292
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3R)-5-methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine
SMILESC=C(OC(C)(C)C)[C@H](N)CC(C)C
InChIInChI=1S/C11H23NO/c1-8(2)7-10(12)9(3)13-11(4,5)6/h8,10H,3,7,12H2,1-2,4-6H3/t10-/m1/s1
InChIKeyGBSACQPBPVKTKO-SNVBAGLBSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
(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
4-Methyl-5-[(2-methylpropan-2-yl)oxy]hex-5-en-1-amine
CID 132048005
3-Butoxy-5-methylhepta-1,2-dien-4-amine
CID 139394807
(3S)-N,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine;propane
CID 141929832
2-Methoxy-5-methylhex-1-en-3-amine
CID 143142421
4-Methyl-2-propoxypent-1-en-3-amine
CID 154671444
2-Ethoxy-4-methylpent-1-en-3-amine
CID 155034073
(3S)-2-methoxy-5-methylhex-1-en-3-amine
CID 156883579

Frequently Asked Questions

What is the IUPAC name of (3R)-5-methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine?
The IUPAC name of (3R)-5-methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine (CID 178163292) is (3R)-5-methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine.
What is the SMILES notation for (3R)-5-methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine?
The canonical SMILES for (3R)-5-methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine is C=C(OC(C)(C)C)[C@H](N)CC(C)C.
What is the InChIKey of (3R)-5-methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine?
The InChIKey is GBSACQPBPVKTKO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)7-10(12)9(3)13-11(4,5)6/h8,10H,3,7,12H2,1-2,4-6H3/t10-/m1/s1.
What are the key properties of (3R)-5-methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine?
(3R)-5-methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine has a molecular weight of 185.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine is sourced from PubChem (CID 178163292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).