N,N-dimethyl-1-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)methanamine

C13H23N — CID 546873

IUPACN,N-dimethyl-1-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)methanamine
SMILESC=C(C)C1CC=C(C)C(CN(C)C)C1
InChIInChI=1S/C13H23N/c1-10(2)12-7-6-11(3)13(8-12)9-14(4)5/h6,12-13H,1,7-9H2,2-5H3
InChIKeyZYSLJOPJWUXGNH-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.10
Rot. Bonds3

About N,N-dimethyl-1-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)methanamine

N,N-dimethyl-1-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)methanamine (PubChem CID 546873) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)methanamine
PubChem CID546873
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN,N-dimethyl-1-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)methanamine
SMILESC=C(C)C1CC=C(C)C(CN(C)C)C1
InChIInChI=1S/C13H23N/c1-10(2)12-7-6-11(3)13(8-12)9-14(4)5/h6,12-13H,1,7-9H2,2-5H3
InChIKeyZYSLJOPJWUXGNH-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
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,N-dimethyl-1-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)methanamine (CID 546873) is N,N-dimethyl-1-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)methanamine is C=C(C)C1CC=C(C)C(CN(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)methanamine?
The InChIKey is ZYSLJOPJWUXGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-10(2)12-7-6-11(3)13(8-12)9-14(4)5/h6,12-13H,1,7-9H2,2-5H3.
What are the key properties of N,N-dimethyl-1-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)methanamine?
N,N-dimethyl-1-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)methanamine has a molecular weight of 193.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)methanamine is sourced from PubChem (CID 546873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).