(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane

C10H21NO — CID 143051944

IUPAC(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane
SMILESC=C(N)/C=C(\O)C(C)(C)C.CC
InChIInChI=1S/C8H15NO.C2H6/c1-6(9)5-7(10)8(2,3)4;1-2/h5,10H,1,9H2,2-4H3;1-2H3/b7-5-;
InChIKeyZSQFTGROKCFTPM-YJOCEBFMSA-N
MW171.28 g/mol
LogP2.97
Rot. Bonds1

About (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane

(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane (PubChem CID 143051944) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane.

Molecular Properties

Compound Name(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane
PubChem CID143051944
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane
SMILESC=C(N)/C=C(\O)C(C)(C)C.CC
InChIInChI=1S/C8H15NO.C2H6/c1-6(9)5-7(10)8(2,3)4;1-2/h5,10H,1,9H2,2-4H3;1-2H3/b7-5-;
InChIKeyZSQFTGROKCFTPM-YJOCEBFMSA-N
XLogP2.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.97
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

(3E,5Z)-6-amino-2,4-dimethylhepta-1,3,5-trien-3-ol
CID 88226427
O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine
CID 89146914
(4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol
CID 126755582
(3E,5E,8E,9Z)-11-amino-8-ethylidene-6-methyl-7-methylidenedodeca-3,5,9,11-tetraen-3-ol
CID 132047364
(3E)-5-aminohexa-3,5-dien-3-ol
CID 132207868
(3Z)-5-amino-2-methylhexa-3,5-dien-3-ol
CID 137384297
(3E,5E)-6-aminohepta-3,5-dien-3-ol;ethane
CID 141772048
(3E,5E)-6-aminohepta-3,5-dien-3-ol
CID 141772049
(3E,5E)-6-aminoocta-3,5-dien-3-ol;ethane;ethene
CID 141772051
6-Amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol
CID 142014773
2-Amino-4-methylcyclohepta-1,3,5-trien-1-ol
CID 142028947
(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-amine;molecular hydrogen
CID 144288969

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane?
The IUPAC name of (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane (CID 143051944) is (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane.
What is the SMILES notation for (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane?
The canonical SMILES for (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane is C=C(N)/C=C(\O)C(C)(C)C.CC.
What is the InChIKey of (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane?
The InChIKey is ZSQFTGROKCFTPM-YJOCEBFMSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-6(9)5-7(10)8(2,3)4;1-2/h5,10H,1,9H2,2-4H3;1-2H3/b7-5-;.
What are the key properties of (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane?
(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane has a molecular weight of 171.28 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane is sourced from PubChem (CID 143051944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).