ethane;4-methyl-2-(methylamino)-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol

C16H35NO — CID 143342945

IUPACethane;4-methyl-2-(methylamino)-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol
SMILESC/C=C\C1=C(C)CC(O)C1NC.CC.CC.CC
InChIInChI=1S/C10H17NO.3C2H6/c1-4-5-8-7(2)6-9(12)10(8)11-3;3*1-2/h4-5,9-12H,6H2,1-3H3;3*1-2H3/b5-4-;;;
InChIKeyWNIHYBJDUHOMII-OAWHIZORSA-N
MW257.46 g/mol
LogP4.31
Rot. Bonds2

About ethane;4-methyl-2-(methylamino)-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol

ethane;4-methyl-2-(methylamino)-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol (PubChem CID 143342945) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is ethane;4-methyl-2-(methylamino)-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol.

Molecular Properties

Compound Nameethane;4-methyl-2-(methylamino)-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol
PubChem CID143342945
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Nameethane;4-methyl-2-(methylamino)-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol
SMILESC/C=C\C1=C(C)CC(O)C1NC.CC.CC.CC
InChIInChI=1S/C10H17NO.3C2H6/c1-4-5-8-7(2)6-9(12)10(8)11-3;3*1-2/h4-5,9-12H,6H2,1-3H3;3*1-2H3/b5-4-;;;
InChIKeyWNIHYBJDUHOMII-OAWHIZORSA-N
XLogP4.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-1-(4-methyl-1,2-dihydropyridin-2-yl)butan-1-ol
CID 171556348
1-(5-Ethyl-4-methyl-1,2-dihydropyridin-2-yl)-4-fluorobutan-1-ol
CID 172251178
4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol
CID 122448990
1-(ethylamino)-2,3,4,5-tetrahydro-1H-inden-2-ol
CID 123990062
(2R,4E,6Z)-4-ethyl-3-[(3Z)-hexa-1,3-dien-2-yl]-1-(propan-2-ylamino)octa-4,6-dien-2-ol
CID 130415405
(2R,4E)-4-methyl-3-[(3Z)-penta-1,3-dien-2-yl]-1-(propan-2-ylamino)hepta-4,6-dien-2-ol
CID 130415407
(1R,3E)-3-ethylidene-2-(methylamino)-4-prop-1-enylidenecyclohexan-1-ol
CID 141824510
ethane;(1E,3E)-6-(5-ethylidenenonan-2-ylamino)-4-[(Z)-prop-1-enyl]hepta-1,3-diene-1,5-diol
CID 142065237
1-[[(1E,4Z)-cycloocta-1,4,6,7-tetraen-1-yl]methylamino]heptan-2-ol
CID 142552134
3-ethenyl-2-(methylamino)-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol
CID 143164390
2-amino-4-methyl-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol;ethane
CID 143342654
1-[5-(4-Pentylcyclohepta-1,3,5-trien-1-yl)pentan-2-ylamino]butan-2-ol
CID 143596732

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-(methylamino)-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol?
The IUPAC name of ethane;4-methyl-2-(methylamino)-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol (CID 143342945) is ethane;4-methyl-2-(methylamino)-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol.
What is the SMILES notation for ethane;4-methyl-2-(methylamino)-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol?
The canonical SMILES for ethane;4-methyl-2-(methylamino)-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol is C/C=C\C1=C(C)CC(O)C1NC.CC.CC.CC.
What is the InChIKey of ethane;4-methyl-2-(methylamino)-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol?
The InChIKey is WNIHYBJDUHOMII-OAWHIZORSA-N. The full InChI is InChI=1S/C10H17NO.3C2H6/c1-4-5-8-7(2)6-9(12)10(8)11-3;3*1-2/h4-5,9-12H,6H2,1-3H3;3*1-2H3/b5-4-;;;.
What are the key properties of ethane;4-methyl-2-(methylamino)-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol?
ethane;4-methyl-2-(methylamino)-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol has a molecular weight of 257.46 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-(methylamino)-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol is sourced from PubChem (CID 143342945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).