N,3-diethyl-4,5,6-trimethylcyclohex-2-en-1-amine

C13H25N — CID 91100837

IUPACN,3-diethyl-4,5,6-trimethylcyclohex-2-en-1-amine
SMILESCCNC1C=C(CC)C(C)C(C)C1C
InChIInChI=1S/C13H25N/c1-6-12-8-13(14-7-2)11(5)9(3)10(12)4/h8-11,13-14H,6-7H2,1-5H3
InChIKeyDQJNPRVVBKJWMN-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.22
Rot. Bonds3

About N,3-diethyl-4,5,6-trimethylcyclohex-2-en-1-amine

N,3-diethyl-4,5,6-trimethylcyclohex-2-en-1-amine (PubChem CID 91100837) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N,3-diethyl-4,5,6-trimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound NameN,3-diethyl-4,5,6-trimethylcyclohex-2-en-1-amine
PubChem CID91100837
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN,3-diethyl-4,5,6-trimethylcyclohex-2-en-1-amine
SMILESCCNC1C=C(CC)C(C)C(C)C1C
InChIInChI=1S/C13H25N/c1-6-12-8-13(14-7-2)11(5)9(3)10(12)4/h8-11,13-14H,6-7H2,1-5H3
InChIKeyDQJNPRVVBKJWMN-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-4,5,6-trimethylcyclohex-2-en-1-amine?
The IUPAC name of N,3-diethyl-4,5,6-trimethylcyclohex-2-en-1-amine (CID 91100837) is N,3-diethyl-4,5,6-trimethylcyclohex-2-en-1-amine.
What is the SMILES notation for N,3-diethyl-4,5,6-trimethylcyclohex-2-en-1-amine?
The canonical SMILES for N,3-diethyl-4,5,6-trimethylcyclohex-2-en-1-amine is CCNC1C=C(CC)C(C)C(C)C1C.
What is the InChIKey of N,3-diethyl-4,5,6-trimethylcyclohex-2-en-1-amine?
The InChIKey is DQJNPRVVBKJWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-6-12-8-13(14-7-2)11(5)9(3)10(12)4/h8-11,13-14H,6-7H2,1-5H3.
What are the key properties of N,3-diethyl-4,5,6-trimethylcyclohex-2-en-1-amine?
N,3-diethyl-4,5,6-trimethylcyclohex-2-en-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-4,5,6-trimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 91100837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).