(1,3-dimethylcyclohepta-2,4,6-trien-1-yl)methanamine

C10H15N — CID 143194036

IUPAC(1,3-dimethylcyclohepta-2,4,6-trien-1-yl)methanamine
SMILESCC1=CC(C)(CN)C=CC=C1
InChIInChI=1S/C10H15N/c1-9-5-3-4-6-10(2,7-9)8-11/h3-7H,8,11H2,1-2H3
InChIKeyWSKZVLFWFBUWRA-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.02
Rot. Bonds1

About (1,3-dimethylcyclohepta-2,4,6-trien-1-yl)methanamine

(1,3-dimethylcyclohepta-2,4,6-trien-1-yl)methanamine (PubChem CID 143194036) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (1,3-dimethylcyclohepta-2,4,6-trien-1-yl)methanamine.

Molecular Properties

Compound Name(1,3-dimethylcyclohepta-2,4,6-trien-1-yl)methanamine
PubChem CID143194036
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(1,3-dimethylcyclohepta-2,4,6-trien-1-yl)methanamine
SMILESCC1=CC(C)(CN)C=CC=C1
InChIInChI=1S/C10H15N/c1-9-5-3-4-6-10(2,7-9)8-11/h3-7H,8,11H2,1-2H3
InChIKeyWSKZVLFWFBUWRA-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Ethenylhexa-3,5-dien-1-amine
CID 130019176
Cyclohepta-2,4,6-trien-1-ylmethanamine
CID 55256059
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
(5-Fluorocyclohepta-1,4,6-trien-1-yl)methanamine
CID 123258776
(2-Fluorocyclohepta-1,3,6-trien-1-yl)methanamine
CID 142131672
(3E)-3-fluoro-4-methyl-2-methylidenehexa-3,5-dien-1-amine
CID 142259063
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 142924457
(E)-2-[(Z)-3-fluoroprop-1-enyl]pent-2-en-1-amine
CID 143973228
(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dien-1-amine
CID 144283200
(E)-4-fluoro-2-[(Z)-prop-1-enyl]pent-2-en-1-amine
CID 144407486
(Z,2Z)-2-(1-fluoroethylidene)hex-3-en-1-amine
CID 144703102
(5-Fluoro-2-methylcyclohepta-1,3,6-trien-1-yl)methanamine
CID 155573764

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylcyclohepta-2,4,6-trien-1-yl)methanamine?
The IUPAC name of (1,3-dimethylcyclohepta-2,4,6-trien-1-yl)methanamine (CID 143194036) is (1,3-dimethylcyclohepta-2,4,6-trien-1-yl)methanamine.
What is the SMILES notation for (1,3-dimethylcyclohepta-2,4,6-trien-1-yl)methanamine?
The canonical SMILES for (1,3-dimethylcyclohepta-2,4,6-trien-1-yl)methanamine is CC1=CC(C)(CN)C=CC=C1.
What is the InChIKey of (1,3-dimethylcyclohepta-2,4,6-trien-1-yl)methanamine?
The InChIKey is WSKZVLFWFBUWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-9-5-3-4-6-10(2,7-9)8-11/h3-7H,8,11H2,1-2H3.
What are the key properties of (1,3-dimethylcyclohepta-2,4,6-trien-1-yl)methanamine?
(1,3-dimethylcyclohepta-2,4,6-trien-1-yl)methanamine has a molecular weight of 149.24 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylcyclohepta-2,4,6-trien-1-yl)methanamine is sourced from PubChem (CID 143194036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).