methane;(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol

C14H29NO — CID 162238862

IUPACmethane;(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC.C=C(C)[C@H]1CC[C@@](C)(O)[C@H](NC(C)C)C1
InChIInChI=1S/C13H25NO.CH4/c1-9(2)11-6-7-13(5,15)12(8-11)14-10(3)4;/h10-12,14-15H,1,6-8H2,2-5H3;1H4/t11-,12+,13+;/m0./s1
InChIKeyZWKXILUFHWQROP-LUHWTZLKSA-N
MW227.39 g/mol
LogP3.12
Rot. Bonds3

About methane;(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol

methane;(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 162238862) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is methane;(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Namemethane;(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID162238862
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Namemethane;(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC.C=C(C)[C@H]1CC[C@@](C)(O)[C@H](NC(C)C)C1
InChIInChI=1S/C13H25NO.CH4/c1-9(2)11-6-7-13(5,15)12(8-11)14-10(3)4;/h10-12,14-15H,1,6-8H2,2-5H3;1H4/t11-,12+,13+;/m0./s1
InChIKeyZWKXILUFHWQROP-LUHWTZLKSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methane;(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol with MolForge

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Related Compounds

(4R)-2-amino-1-methyl-4-(prop-1-en-2-yl)cyclohexan-1-ol
CID 131142748
(1S,2S,4R)-2-(Dimethylamino)-1-methyl-4-(prop-1-en-2-yl)cyclohexan-1-ol
CID 10965481
(1S,2S,4R)-1-methyl-4-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 11322045
(1R,2R,4S)-2-(azepan-1-yl)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
CID 15906520
(1S,2S,4R)-2-(azepan-1-yl)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
CID 15906521
(1R,2R,4S)-1-methyl-4-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 15906522
(1S,2S,4R)-1-methyl-2-(4-methylpiperidin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol
CID 15906526
(1S,2S,4R)-1-methyl-2-piperidin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol
CID 15906527
(1S,2S,4R)-1-methyl-2-piperazin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol
CID 15906530
(2-Hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl)-trimethylazanium
CID 18714367
2-(Diethylamino)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
CID 21532762
2-[Butyl(methyl)amino]-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
CID 21532763

Frequently Asked Questions

What is the IUPAC name of methane;(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of methane;(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol (CID 162238862) is methane;(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for methane;(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for methane;(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol is C.C=C(C)[C@H]1CC[C@@](C)(O)[C@H](NC(C)C)C1.
What is the InChIKey of methane;(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is ZWKXILUFHWQROP-LUHWTZLKSA-N. The full InChI is InChI=1S/C13H25NO.CH4/c1-9(2)11-6-7-13(5,15)12(8-11)14-10(3)4;/h10-12,14-15H,1,6-8H2,2-5H3;1H4/t11-,12+,13+;/m0./s1.
What are the key properties of methane;(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol?
methane;(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 162238862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).