(3Z)-3-ethylidene-6-methyl-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol;methanamine

C13H21NO — CID 153387748

IUPAC(3Z)-3-ethylidene-6-methyl-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol;methanamine
SMILESC/C=c1/cc(O)c(C)cc1=C(C)C.CN
InChIInChI=1S/C12H16O.CH5N/c1-5-10-7-12(13)9(4)6-11(10)8(2)3;1-2/h5-7,13H,1-4H3;2H2,1H3/b10-5-;
InChIKeyDNGMSKBRBBJKQV-WIMVAJRLSA-N
MW207.32 g/mol
LogP1.27
Rot. Bonds

About (3Z)-3-ethylidene-6-methyl-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol;methanamine

(3Z)-3-ethylidene-6-methyl-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol;methanamine (PubChem CID 153387748) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3Z)-3-ethylidene-6-methyl-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol;methanamine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-6-methyl-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol;methanamine
PubChem CID153387748
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3Z)-3-ethylidene-6-methyl-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol;methanamine
SMILESC/C=c1/cc(O)c(C)cc1=C(C)C.CN
InChIInChI=1S/C12H16O.CH5N/c1-5-10-7-12(13)9(4)6-11(10)8(2)3;1-2/h5-7,13H,1-4H3;2H2,1H3/b10-5-;
InChIKeyDNGMSKBRBBJKQV-WIMVAJRLSA-N
XLogP1.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(Aminomethyl)cyclohexa-1,5-dien-1-ol
CID 89044123
(2Z,4E)-3-(aminomethyl)-6-methylhepta-2,4-dien-4-ol
CID 89044202
(3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol
CID 89185801
Ethane;6-methylcyclohexa-1,5-dien-1-ol
CID 141920577
methanamine;(3Z)-5-methylhexa-1,3,5-trien-2-ol
CID 142060379
(3Z)-4-(aminomethyl)-2-methylhexa-1,3,5-trien-3-ol;ethane
CID 142547581
4-(Aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol
CID 143064786
(3E,5Z)-5-(aminomethyl)hepta-1,3,5-trien-4-ol;ethane
CID 143243856
(2Z,4E)-5-ethenyl-3-methylocta-2,4,7-trien-4-ol;methanimine
CID 145237112
Methanamine;4-methylcyclohexa-1,3-dien-1-ol
CID 145403463
(3E,5Z)-3-(2-aminoethyl)-5-methylhepta-1,3,5-trien-4-ol
CID 145606964
(3Z,4Z)-3-(aminomethylidene)-4-propylidenecyclohexa-1,5-dien-1-ol
CID 144487599

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-6-methyl-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol;methanamine?
The IUPAC name of (3Z)-3-ethylidene-6-methyl-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol;methanamine (CID 153387748) is (3Z)-3-ethylidene-6-methyl-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol;methanamine.
What is the SMILES notation for (3Z)-3-ethylidene-6-methyl-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol;methanamine?
The canonical SMILES for (3Z)-3-ethylidene-6-methyl-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol;methanamine is C/C=c1/cc(O)c(C)cc1=C(C)C.CN.
What is the InChIKey of (3Z)-3-ethylidene-6-methyl-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol;methanamine?
The InChIKey is DNGMSKBRBBJKQV-WIMVAJRLSA-N. The full InChI is InChI=1S/C12H16O.CH5N/c1-5-10-7-12(13)9(4)6-11(10)8(2)3;1-2/h5-7,13H,1-4H3;2H2,1H3/b10-5-;.
What are the key properties of (3Z)-3-ethylidene-6-methyl-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol;methanamine?
(3Z)-3-ethylidene-6-methyl-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol;methanamine has a molecular weight of 207.32 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-6-methyl-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol;methanamine is sourced from PubChem (CID 153387748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).