2-butan-2-yloxy-1-cyclohexylprop-2-en-1-amine

C13H25NO — CID 90874517

IUPAC2-butan-2-yloxy-1-cyclohexylprop-2-en-1-amine
SMILESC=C(OC(C)CC)C(N)C1CCCCC1
InChIInChI=1S/C13H25NO/c1-4-10(2)15-11(3)13(14)12-8-6-5-7-9-12/h10,12-13H,3-9,14H2,1-2H3
InChIKeyOCMWPHVRJNHECU-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.22
Rot. Bonds5

About 2-butan-2-yloxy-1-cyclohexylprop-2-en-1-amine

2-butan-2-yloxy-1-cyclohexylprop-2-en-1-amine (PubChem CID 90874517) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-butan-2-yloxy-1-cyclohexylprop-2-en-1-amine.

Molecular Properties

Compound Name2-butan-2-yloxy-1-cyclohexylprop-2-en-1-amine
PubChem CID90874517
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-butan-2-yloxy-1-cyclohexylprop-2-en-1-amine
SMILESC=C(OC(C)CC)C(N)C1CCCCC1
InChIInChI=1S/C13H25NO/c1-4-10(2)15-11(3)13(14)12-8-6-5-7-9-12/h10,12-13H,3-9,14H2,1-2H3
InChIKeyOCMWPHVRJNHECU-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.22
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

(2R,3R,5S,6S)-6-allyl-2,5-dimethyltetrahydro-2H-pyran-3-amine
CID 11521154
4-(3-Methoxybut-3-enyl)cyclohexan-1-amine
CID 70141627
2,5-Dimethyl-6-prop-2-enyloxan-3-amine
CID 72993388
(2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine
CID 130848345
2-Methoxy-8-methylnon-1-en-3-amine
CID 134583678
5-Cyclohexyl-2-methoxypent-1-en-3-amine;pentylcyclohexane
CID 143064661
1-(1-Ethoxyethenyl)cyclohexan-1-amine
CID 143504915
3-Amino-4-cyclohexylbut-1-en-2-olate
CID 145783448
6-(2-Prop-1-en-2-ylcyclopropyl)oxan-3-amine
CID 166750173
(2R)-1-cyclohexyl-3-methoxybut-3-en-2-amine
CID 169840858
(3S,5R)-6-ethyl-2-prop-2-enyl-5-propyloxan-3-amine
CID 170204912
3-Amino-4-[4-(2-aminoethoxy)cyclohexyl]but-1-en-2-ol
CID 172238434

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-1-cyclohexylprop-2-en-1-amine?
The IUPAC name of 2-butan-2-yloxy-1-cyclohexylprop-2-en-1-amine (CID 90874517) is 2-butan-2-yloxy-1-cyclohexylprop-2-en-1-amine.
What is the SMILES notation for 2-butan-2-yloxy-1-cyclohexylprop-2-en-1-amine?
The canonical SMILES for 2-butan-2-yloxy-1-cyclohexylprop-2-en-1-amine is C=C(OC(C)CC)C(N)C1CCCCC1.
What is the InChIKey of 2-butan-2-yloxy-1-cyclohexylprop-2-en-1-amine?
The InChIKey is OCMWPHVRJNHECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-10(2)15-11(3)13(14)12-8-6-5-7-9-12/h10,12-13H,3-9,14H2,1-2H3.
What are the key properties of 2-butan-2-yloxy-1-cyclohexylprop-2-en-1-amine?
2-butan-2-yloxy-1-cyclohexylprop-2-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-1-cyclohexylprop-2-en-1-amine is sourced from PubChem (CID 90874517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).