(2Z,6E)-3-amino-7,8,9-trimethyl-4-methylidenedeca-2,6,8-trien-2-ol

C14H23NO — CID 174282510

IUPAC(2Z,6E)-3-amino-7,8,9-trimethyl-4-methylidenedeca-2,6,8-trien-2-ol
SMILESC=C(C/C=C(\C)C(C)=C(C)C)/C(N)=C(\C)O
InChIInChI=1S/C14H23NO/c1-9(2)12(5)10(3)7-8-11(4)14(15)13(6)16/h7,16H,4,8,15H2,1-3,5-6H3/b10-7+,14-13-
InChIKeyZEZZBEMQWAFXOM-NAXUZSFSSA-N
MW221.34 g/mol
LogP3.98
Rot. Bonds4

About (2Z,6E)-3-amino-7,8,9-trimethyl-4-methylidenedeca-2,6,8-trien-2-ol

(2Z,6E)-3-amino-7,8,9-trimethyl-4-methylidenedeca-2,6,8-trien-2-ol (PubChem CID 174282510) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2Z,6E)-3-amino-7,8,9-trimethyl-4-methylidenedeca-2,6,8-trien-2-ol.

Molecular Properties

Compound Name(2Z,6E)-3-amino-7,8,9-trimethyl-4-methylidenedeca-2,6,8-trien-2-ol
PubChem CID174282510
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2Z,6E)-3-amino-7,8,9-trimethyl-4-methylidenedeca-2,6,8-trien-2-ol
SMILESC=C(C/C=C(\C)C(C)=C(C)C)/C(N)=C(\C)O
InChIInChI=1S/C14H23NO/c1-9(2)12(5)10(3)7-8-11(4)14(15)13(6)16/h7,16H,4,8,15H2,1-3,5-6H3/b10-7+,14-13-
InChIKeyZEZZBEMQWAFXOM-NAXUZSFSSA-N
XLogP3.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.98
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

(2E,4E)-6-amino-5-(2-fluoropropan-2-yl)hepta-2,4,6-trien-2-ol
CID 166648367
2-Amino-3-methylcyclohexa-1,3-dien-1-ol
CID 58436629
(3Z,5Z)-3-amino-2-methylhepta-1,3,5-trien-4-ol
CID 88890672
(2E,4E)-4-amino-7-methylocta-2,4,7-trien-3-ol
CID 89010550
(2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol
CID 129145728
(2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol
CID 130391029
(3E,5E,8E,9Z)-11-amino-8-ethylidene-6-methyl-7-methylidenedodeca-3,5,9,11-tetraen-3-ol
CID 132047364
(2Z,5Z)-5-amino-3-but-2-en-2-ylocta-2,5-dien-2-ol
CID 132195264
(3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol
CID 134404751
(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane
CID 143051944
4-Amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane
CID 143820253
(Z)-3-amino-5,5-dimethyl-4-methylidenehex-2-en-2-ol
CID 143962760

Frequently Asked Questions

What is the IUPAC name of (2Z,6E)-3-amino-7,8,9-trimethyl-4-methylidenedeca-2,6,8-trien-2-ol?
The IUPAC name of (2Z,6E)-3-amino-7,8,9-trimethyl-4-methylidenedeca-2,6,8-trien-2-ol (CID 174282510) is (2Z,6E)-3-amino-7,8,9-trimethyl-4-methylidenedeca-2,6,8-trien-2-ol.
What is the SMILES notation for (2Z,6E)-3-amino-7,8,9-trimethyl-4-methylidenedeca-2,6,8-trien-2-ol?
The canonical SMILES for (2Z,6E)-3-amino-7,8,9-trimethyl-4-methylidenedeca-2,6,8-trien-2-ol is C=C(C/C=C(\C)C(C)=C(C)C)/C(N)=C(\C)O.
What is the InChIKey of (2Z,6E)-3-amino-7,8,9-trimethyl-4-methylidenedeca-2,6,8-trien-2-ol?
The InChIKey is ZEZZBEMQWAFXOM-NAXUZSFSSA-N. The full InChI is InChI=1S/C14H23NO/c1-9(2)12(5)10(3)7-8-11(4)14(15)13(6)16/h7,16H,4,8,15H2,1-3,5-6H3/b10-7+,14-13-.
What are the key properties of (2Z,6E)-3-amino-7,8,9-trimethyl-4-methylidenedeca-2,6,8-trien-2-ol?
(2Z,6E)-3-amino-7,8,9-trimethyl-4-methylidenedeca-2,6,8-trien-2-ol has a molecular weight of 221.34 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-3-amino-7,8,9-trimethyl-4-methylidenedeca-2,6,8-trien-2-ol is sourced from PubChem (CID 174282510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).