methanamine;(3Z)-5-methylhexa-1,3,5-trien-2-ol

C8H15NO — CID 142060379

IUPACmethanamine;(3Z)-5-methylhexa-1,3,5-trien-2-ol
SMILESC=C(C)/C=C\C(=C)O.CN
InChIInChI=1S/C7H10O.CH5N/c1-6(2)4-5-7(3)8;1-2/h4-5,8H,1,3H2,2H3;2H2,1H3/b5-4-;
InChIKeyPHUNXCQPQHXCKM-MKWAYWHRSA-N
MW141.21 g/mol
LogP1.77
Rot. Bonds2

About methanamine;(3Z)-5-methylhexa-1,3,5-trien-2-ol

methanamine;(3Z)-5-methylhexa-1,3,5-trien-2-ol (PubChem CID 142060379) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is methanamine;(3Z)-5-methylhexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Namemethanamine;(3Z)-5-methylhexa-1,3,5-trien-2-ol
PubChem CID142060379
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Namemethanamine;(3Z)-5-methylhexa-1,3,5-trien-2-ol
SMILESC=C(C)/C=C\C(=C)O.CN
InChIInChI=1S/C7H10O.CH5N/c1-6(2)4-5-7(3)8;1-2/h4-5,8H,1,3H2,2H3;2H2,1H3/b5-4-;
InChIKeyPHUNXCQPQHXCKM-MKWAYWHRSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-ol
CID 87152872
(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-ol
CID 88274704
(3Z)-5,6-dimethylhepta-1,3,5-trien-2-ol
CID 88560312
(2Z,4Z,6E)-6-(aminomethyl)octa-2,4,6-trien-3-ol
CID 88860175
(3E,5Z)-4-methylhepta-1,3,5-trien-2-ol
CID 88949186
(3Z,5Z)-5-methylhepta-1,3,5-trien-2-ol
CID 88979764
(3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-ol
CID 89113098
(3Z,5Z)-4-methylocta-1,3,5-trien-2-ol
CID 89246814
3-(Aminomethyl)cyclohepta-1,3,6-trien-1-ol
CID 89381340
(3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol
CID 89381343
(3Z,5E)-6-methylocta-1,3,5-trien-2-ol
CID 89381360
(3Z,5E)-8-amino-6-methylocta-1,3,5-triene-3,4-diol
CID 89679060

Frequently Asked Questions

What is the IUPAC name of methanamine;(3Z)-5-methylhexa-1,3,5-trien-2-ol?
The IUPAC name of methanamine;(3Z)-5-methylhexa-1,3,5-trien-2-ol (CID 142060379) is methanamine;(3Z)-5-methylhexa-1,3,5-trien-2-ol.
What is the SMILES notation for methanamine;(3Z)-5-methylhexa-1,3,5-trien-2-ol?
The canonical SMILES for methanamine;(3Z)-5-methylhexa-1,3,5-trien-2-ol is C=C(C)/C=C\C(=C)O.CN.
What is the InChIKey of methanamine;(3Z)-5-methylhexa-1,3,5-trien-2-ol?
The InChIKey is PHUNXCQPQHXCKM-MKWAYWHRSA-N. The full InChI is InChI=1S/C7H10O.CH5N/c1-6(2)4-5-7(3)8;1-2/h4-5,8H,1,3H2,2H3;2H2,1H3/b5-4-;.
What are the key properties of methanamine;(3Z)-5-methylhexa-1,3,5-trien-2-ol?
methanamine;(3Z)-5-methylhexa-1,3,5-trien-2-ol has a molecular weight of 141.21 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;(3Z)-5-methylhexa-1,3,5-trien-2-ol is sourced from PubChem (CID 142060379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).