(4Z,6Z)-7-amino-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-ol

C10H17NO — CID 90048191

IUPAC(4Z,6Z)-7-amino-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-ol
SMILESC=C(/C=C\C(C)=C/N)C(C)(C)O
InChIInChI=1S/C10H17NO/c1-8(7-11)5-6-9(2)10(3,4)12/h5-7,12H,2,11H2,1,3-4H3/b6-5-,8-7-
InChIKeyQKFHKSNPEYXPJO-ISTTXYCBSA-N
MW167.25 g/mol
LogP1.73
Rot. Bonds3

About (4Z,6Z)-7-amino-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-ol

(4Z,6Z)-7-amino-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-ol (PubChem CID 90048191) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4Z,6Z)-7-amino-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-ol.

Molecular Properties

Compound Name(4Z,6Z)-7-amino-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-ol
PubChem CID90048191
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4Z,6Z)-7-amino-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-ol
SMILESC=C(/C=C\C(C)=C/N)C(C)(C)O
InChIInChI=1S/C10H17NO/c1-8(7-11)5-6-9(2)10(3,4)12/h5-7,12H,2,11H2,1,3-4H3/b6-5-,8-7-
InChIKeyQKFHKSNPEYXPJO-ISTTXYCBSA-N
XLogP1.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-7-amino-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-ol?
The IUPAC name of (4Z,6Z)-7-amino-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-ol (CID 90048191) is (4Z,6Z)-7-amino-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-ol.
What is the SMILES notation for (4Z,6Z)-7-amino-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-ol?
The canonical SMILES for (4Z,6Z)-7-amino-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-ol is C=C(/C=C\C(C)=C/N)C(C)(C)O.
What is the InChIKey of (4Z,6Z)-7-amino-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-ol?
The InChIKey is QKFHKSNPEYXPJO-ISTTXYCBSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(7-11)5-6-9(2)10(3,4)12/h5-7,12H,2,11H2,1,3-4H3/b6-5-,8-7-.
What are the key properties of (4Z,6Z)-7-amino-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-ol?
(4Z,6Z)-7-amino-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-ol has a molecular weight of 167.25 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-7-amino-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-ol is sourced from PubChem (CID 90048191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).