(7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine

C11H16N2 — CID 130225091

IUPAC(7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine
SMILESC/N=C/C1=C(N)[C@H](C)C=CC=C1C
InChIInChI=1S/C11H16N2/c1-8-5-4-6-9(2)11(12)10(8)7-13-3/h4-7,9H,12H2,1-3H3/b13-7+/t9-/m1/s1
InChIKeyQTERFZPGRVLGOC-MRACZJACSA-N
MW176.26 g/mol
LogP2.05
Rot. Bonds1

About (7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine

(7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine (PubChem CID 130225091) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine
PubChem CID130225091
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine
SMILESC/N=C/C1=C(N)[C@H](C)C=CC=C1C
InChIInChI=1S/C11H16N2/c1-8-5-4-6-9(2)11(12)10(8)7-13-3/h4-7,9H,12H2,1-3H3/b13-7+/t9-/m1/s1
InChIKeyQTERFZPGRVLGOC-MRACZJACSA-N
XLogP2.05
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine?
The IUPAC name of (7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine (CID 130225091) is (7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for (7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for (7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine is C/N=C/C1=C(N)[C@H](C)C=CC=C1C.
What is the InChIKey of (7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine?
The InChIKey is QTERFZPGRVLGOC-MRACZJACSA-N. The full InChI is InChI=1S/C11H16N2/c1-8-5-4-6-9(2)11(12)10(8)7-13-3/h4-7,9H,12H2,1-3H3/b13-7+/t9-/m1/s1.
What are the key properties of (7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine?
(7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine has a molecular weight of 176.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 130225091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).