1-amino-4-(2-methylpropylidene)cyclohexa-2,5-dien-1-ol

C10H15NO — CID 175053212

IUPAC1-amino-4-(2-methylpropylidene)cyclohexa-2,5-dien-1-ol
SMILESCC(C)C=C1C=CC(N)(O)C=C1
InChIInChI=1S/C10H15NO/c1-8(2)7-9-3-5-10(11,12)6-4-9/h3-8,12H,11H2,1-2H3/b9-7-
InChIKeyVQYZDJKDNTWOFL-CLFYSBASSA-N
MW165.24 g/mol
LogP1.34
Rot. Bonds1

About 1-amino-4-(2-methylpropylidene)cyclohexa-2,5-dien-1-ol

1-amino-4-(2-methylpropylidene)cyclohexa-2,5-dien-1-ol (PubChem CID 175053212) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-amino-4-(2-methylpropylidene)cyclohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name1-amino-4-(2-methylpropylidene)cyclohexa-2,5-dien-1-ol
PubChem CID175053212
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-amino-4-(2-methylpropylidene)cyclohexa-2,5-dien-1-ol
SMILESCC(C)C=C1C=CC(N)(O)C=C1
InChIInChI=1S/C10H15NO/c1-8(2)7-9-3-5-10(11,12)6-4-9/h3-8,12H,11H2,1-2H3/b9-7-
InChIKeyVQYZDJKDNTWOFL-CLFYSBASSA-N
XLogP1.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-Hydroxy 4-isopropylaniline
CID 129853725
1-Amino-6-methylcyclohexa-2,4-dien-1-ol
CID 23047997
1-Amino-4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ol
CID 68624119
1-Amino-3,6-dimethylcyclohexa-2,4-dien-1-ol
CID 70634740
(3Z,5Z)-3-amino-2-methylhepta-1,3,5-trien-4-ol
CID 88890672
5-Amino-5-methylcyclohepta-1,3,6-trien-1-ol
CID 126612422
2-amino-3H-naphthalen-2-ol
CID 129668562
(3E,4E,7Z,9Z)-2-amino-3-ethylidene-5,8-dimethyl-6-methylidenedodeca-4,7,9,11-tetraen-2-ol
CID 137503963
1-Amino-4-methylcyclohexa-2,4-dien-1-ol
CID 141564938
3-Amino-3-methylcyclohepta-1,4,6-trien-1-ol
CID 141996373
(3E)-2-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 142494513
2-Amino-5-methylcyclohepta-1,3,6-trien-1-ol
CID 153684777

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-methylpropylidene)cyclohexa-2,5-dien-1-ol?
The IUPAC name of 1-amino-4-(2-methylpropylidene)cyclohexa-2,5-dien-1-ol (CID 175053212) is 1-amino-4-(2-methylpropylidene)cyclohexa-2,5-dien-1-ol.
What is the SMILES notation for 1-amino-4-(2-methylpropylidene)cyclohexa-2,5-dien-1-ol?
The canonical SMILES for 1-amino-4-(2-methylpropylidene)cyclohexa-2,5-dien-1-ol is CC(C)C=C1C=CC(N)(O)C=C1.
What is the InChIKey of 1-amino-4-(2-methylpropylidene)cyclohexa-2,5-dien-1-ol?
The InChIKey is VQYZDJKDNTWOFL-CLFYSBASSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(2)7-9-3-5-10(11,12)6-4-9/h3-8,12H,11H2,1-2H3/b9-7-.
What are the key properties of 1-amino-4-(2-methylpropylidene)cyclohexa-2,5-dien-1-ol?
1-amino-4-(2-methylpropylidene)cyclohexa-2,5-dien-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-methylpropylidene)cyclohexa-2,5-dien-1-ol is sourced from PubChem (CID 175053212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).