(3Z,6S,9S)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol

C12H21NO — CID 142093862

IUPAC(3Z,6S,9S)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol
SMILESC=C(O)/C=C\C(=C)[C@@H](C)CC[C@H](C)N
InChIInChI=1S/C12H21NO/c1-9(5-7-11(3)13)10(2)6-8-12(4)14/h6,8-9,11,14H,2,4-5,7,13H2,1,3H3/b8-6-/t9-,11-/m0/s1
InChIKeyZVDVDYZFLJVPTE-RJOLATDVSA-N
MW195.31 g/mol
LogP2.93
Rot. Bonds6

About (3Z,6S,9S)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol

(3Z,6S,9S)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol (PubChem CID 142093862) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3Z,6S,9S)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z,6S,9S)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol
PubChem CID142093862
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3Z,6S,9S)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol
SMILESC=C(O)/C=C\C(=C)[C@@H](C)CC[C@H](C)N
InChIInChI=1S/C12H21NO/c1-9(5-7-11(3)13)10(2)6-8-12(4)14/h6,8-9,11,14H,2,4-5,7,13H2,1,3H3/b8-6-/t9-,11-/m0/s1
InChIKeyZVDVDYZFLJVPTE-RJOLATDVSA-N
XLogP2.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of (3Z,6S,9S)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol?
The IUPAC name of (3Z,6S,9S)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol (CID 142093862) is (3Z,6S,9S)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol.
What is the SMILES notation for (3Z,6S,9S)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol?
The canonical SMILES for (3Z,6S,9S)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol is C=C(O)/C=C\C(=C)[C@@H](C)CC[C@H](C)N.
What is the InChIKey of (3Z,6S,9S)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol?
The InChIKey is ZVDVDYZFLJVPTE-RJOLATDVSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(5-7-11(3)13)10(2)6-8-12(4)14/h6,8-9,11,14H,2,4-5,7,13H2,1,3H3/b8-6-/t9-,11-/m0/s1.
What are the key properties of (3Z,6S,9S)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol?
(3Z,6S,9S)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol has a molecular weight of 195.31 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6S,9S)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol is sourced from PubChem (CID 142093862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).