(3E)-2-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol

C10H17NO — CID 142494513

IUPAC(3E)-2-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
SMILESC=C/C(C)=C(\C=C/C)C(C)(N)O
InChIInChI=1S/C10H17NO/c1-5-7-9(8(3)6-2)10(4,11)12/h5-7,12H,2,11H2,1,3-4H3/b7-5-,9-8+
InChIKeyNHOHGKYTWAXBGU-SUHGFZJFSA-N
MW167.25 g/mol
LogP1.73
Rot. Bonds3

About (3E)-2-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol

(3E)-2-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol (PubChem CID 142494513) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3E)-2-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E)-2-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
PubChem CID142494513
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3E)-2-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
SMILESC=C/C(C)=C(\C=C/C)C(C)(N)O
InChIInChI=1S/C10H17NO/c1-5-7-9(8(3)6-2)10(4,11)12/h5-7,12H,2,11H2,1,3-4H3/b7-5-,9-8+
InChIKeyNHOHGKYTWAXBGU-SUHGFZJFSA-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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

c1-Aminophenol
CID 20474799
1-Hydroxy 4-isopropylaniline
CID 129853725
1,4-Diamino-6-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ol
CID 17938045
1-Amino-5-methylcyclohexa-2,4-dien-1-ol
CID 22486311
1-Amino-6-methylcyclohexa-2,4-dien-1-ol
CID 23047997
1-Amino-3,6-dimethylcyclohexa-2,4-dien-1-ol
CID 70634740
1-Amino-5,6-dimethylcyclohexa-2,4-dien-1-ol
CID 70634940
4-Amino-5-prop-2-enylnona-1,5,8-trien-4-ol
CID 87839218
(2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol
CID 88566743
(3E,4Z)-2-amino-3-(1-aminobutylidene)-5-methylhepta-4,6-dien-2-ol
CID 89017359
(3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol
CID 126490034
(3E,5Z)-5-(2-aminopropan-2-yl)octa-1,3,5,7-tetraen-4-ol
CID 129131552

Frequently Asked Questions

What is the IUPAC name of (3E)-2-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
The IUPAC name of (3E)-2-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol (CID 142494513) is (3E)-2-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol.
What is the SMILES notation for (3E)-2-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
The canonical SMILES for (3E)-2-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol is C=C/C(C)=C(\C=C/C)C(C)(N)O.
What is the InChIKey of (3E)-2-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
The InChIKey is NHOHGKYTWAXBGU-SUHGFZJFSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-7-9(8(3)6-2)10(4,11)12/h5-7,12H,2,11H2,1,3-4H3/b7-5-,9-8+.
What are the key properties of (3E)-2-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
(3E)-2-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-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 (3E)-2-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol is sourced from PubChem (CID 142494513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).