N,N-dimethyl-2-(1,3,4-trimethyl-2-prop-1-enylcyclohex-2-en-1-yl)propan-2-amine

C17H31N — CID 123686386

IUPACN,N-dimethyl-2-(1,3,4-trimethyl-2-prop-1-enylcyclohex-2-en-1-yl)propan-2-amine
SMILESCC=CC1=C(C)C(C)CCC1(C)C(C)(C)N(C)C
InChIInChI=1S/C17H31N/c1-9-10-15-14(3)13(2)11-12-17(15,6)16(4,5)18(7)8/h9-10,13H,11-12H2,1-8H3
InChIKeyCMXLMCDDEOHXTR-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.66
Rot. Bonds3

About N,N-dimethyl-2-(1,3,4-trimethyl-2-prop-1-enylcyclohex-2-en-1-yl)propan-2-amine

N,N-dimethyl-2-(1,3,4-trimethyl-2-prop-1-enylcyclohex-2-en-1-yl)propan-2-amine (PubChem CID 123686386) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,3,4-trimethyl-2-prop-1-enylcyclohex-2-en-1-yl)propan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,3,4-trimethyl-2-prop-1-enylcyclohex-2-en-1-yl)propan-2-amine
PubChem CID123686386
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN,N-dimethyl-2-(1,3,4-trimethyl-2-prop-1-enylcyclohex-2-en-1-yl)propan-2-amine
SMILESCC=CC1=C(C)C(C)CCC1(C)C(C)(C)N(C)C
InChIInChI=1S/C17H31N/c1-9-10-15-14(3)13(2)11-12-17(15,6)16(4,5)18(7)8/h9-10,13H,11-12H2,1-8H3
InChIKeyCMXLMCDDEOHXTR-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethyl-2-(1,3,4-trimethyl-2-prop-1-enylcyclohex-2-en-1-yl)propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[3-ethenyl-2-(3-fluoropentyl)-3-propylheptyl]-4-ethyl-N,3,5-trimethylcyclohexa-1,2,5-trien-1-amine
CID 123490671
N-ethyl-N-[2-[5-(2-fluoropropan-2-yl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 143036997
n,n-Dimethyl-1-(1,3,5-trimethyl-2-pentylcyclohexa-2,4-dien-1-yl)methanamine
CID 233422
n,n-Dimethyl-1-(1,2,3,5-tetramethyl-6-pentylcyclohexa-2,4-dien-1-yl)methanamine
CID 233424
N,N,N-Trimethyl(1,3,5-trimethyl-2-pentylcyclohexa-2,4-dien-1-yl)methanaminium iodide
CID 24183938
N,N,N-Trimethyl(1,2,3,5-tetramethyl-6-pentylcyclohexa-2,4-dien-1-yl)methanaminium iodide
CID 24183940
1-Methyl-4-(7-tricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaenyl)piperidine
CID 53971727
N,2-dimethyl-N-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl)ethyl]propan-2-amine
CID 58418804
N,2-dimethyl-N-[[2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropyl]methyl]propan-2-amine
CID 68302161
Trimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide
CID 68771460
Trimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium
CID 68771461
1-[1-(4-iodocyclohexa-1,5-dien-1-yl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
CID 70222965

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1,3,4-trimethyl-2-prop-1-enylcyclohex-2-en-1-yl)propan-2-amine?
The IUPAC name of N,N-dimethyl-2-(1,3,4-trimethyl-2-prop-1-enylcyclohex-2-en-1-yl)propan-2-amine (CID 123686386) is N,N-dimethyl-2-(1,3,4-trimethyl-2-prop-1-enylcyclohex-2-en-1-yl)propan-2-amine.
What is the SMILES notation for N,N-dimethyl-2-(1,3,4-trimethyl-2-prop-1-enylcyclohex-2-en-1-yl)propan-2-amine?
The canonical SMILES for N,N-dimethyl-2-(1,3,4-trimethyl-2-prop-1-enylcyclohex-2-en-1-yl)propan-2-amine is CC=CC1=C(C)C(C)CCC1(C)C(C)(C)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(1,3,4-trimethyl-2-prop-1-enylcyclohex-2-en-1-yl)propan-2-amine?
The InChIKey is CMXLMCDDEOHXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-9-10-15-14(3)13(2)11-12-17(15,6)16(4,5)18(7)8/h9-10,13H,11-12H2,1-8H3.
What are the key properties of N,N-dimethyl-2-(1,3,4-trimethyl-2-prop-1-enylcyclohex-2-en-1-yl)propan-2-amine?
N,N-dimethyl-2-(1,3,4-trimethyl-2-prop-1-enylcyclohex-2-en-1-yl)propan-2-amine has a molecular weight of 249.44 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1,3,4-trimethyl-2-prop-1-enylcyclohex-2-en-1-yl)propan-2-amine is sourced from PubChem (CID 123686386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).