1-methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine

C13H21NO — CID 123293835

IUPAC1-methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine
SMILESCC(C)CCOC1=CC=CC(C)(N)C=C1
InChIInChI=1S/C13H21NO/c1-11(2)7-10-15-12-5-4-8-13(3,14)9-6-12/h4-6,8-9,11H,7,10,14H2,1-3H3
InChIKeyQWYVERYFMHLMGQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.78
Rot. Bonds4

About 1-methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine

1-methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine (PubChem CID 123293835) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name1-methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine
PubChem CID123293835
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine
SMILESCC(C)CCOC1=CC=CC(C)(N)C=C1
InChIInChI=1S/C13H21NO/c1-11(2)7-10-15-12-5-4-8-13(3,14)9-6-12/h4-6,8-9,11H,7,10,14H2,1-3H3
InChIKeyQWYVERYFMHLMGQ-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Paramethylanisidine
CID 69626332
4-But-2-en-2-yloxy-1-methylcyclohepta-2,4,6-trien-1-amine
CID 123685234
4-Ethenoxy-1-methylcyclohepta-2,4,6-trien-1-amine
CID 123759029
4-Methoxy-1-methylcyclohepta-2,4,6-trien-1-amine
CID 123856084
6-Methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine
CID 123947578
(4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine
CID 129171754
(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine
CID 144491658
3-Methoxy-1-methylcyclohepta-2,4,6-trien-1-amine
CID 146836956
4-Ethoxy-1-methylcyclohexa-2,4-dien-1-amine
CID 152301169
5,5-dimethyl-2-[(Z)-prop-1-enoxy]cyclohepta-1,3,6-trien-1-amine
CID 154684576
5-Methyl-2-propan-2-ylcyclohepta[b]furan-5-amine
CID 155307548
ethane;7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine
CID 156794166

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine?
The IUPAC name of 1-methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine (CID 123293835) is 1-methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine.
What is the SMILES notation for 1-methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine?
The canonical SMILES for 1-methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine is CC(C)CCOC1=CC=CC(C)(N)C=C1.
What is the InChIKey of 1-methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine?
The InChIKey is QWYVERYFMHLMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)7-10-15-12-5-4-8-13(3,14)9-6-12/h4-6,8-9,11H,7,10,14H2,1-3H3.
What are the key properties of 1-methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine?
1-methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine is sourced from PubChem (CID 123293835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).