N-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine

C14H25N — CID 72588400

IUPACN-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine
SMILESCNC(C)C=CC1C(C)=CCCC1(C)C
InChIInChI=1S/C14H25N/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)15-5/h7-9,12-13,15H,6,10H2,1-5H3
InChIKeyVOBIJSIRWXDYJE-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.53
Rot. Bonds3

About N-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine

N-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine (PubChem CID 72588400) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine
PubChem CID72588400
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine
SMILESCNC(C)C=CC1C(C)=CCCC1(C)C
InChIInChI=1S/C14H25N/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)15-5/h7-9,12-13,15H,6,10H2,1-5H3
InChIKeyVOBIJSIRWXDYJE-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N,N,1-tetramethyl-3-(2,6,6-trimethyl-2-cyclohexenyl)-2-propenylammonium iodide
CID 68131438
[1-Methyl-3-(2,6,6-trimethyl-2-cyclohexenyl)-2(trans)-propenyl]dimethylamine
CID 21502510
N,N-dimethyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine
CID 53975560
(1R,5S)-N,2-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-amine
CID 9979933
(E)-3-cyclohexyl-N-methylprop-2-en-1-amine
CID 13657945
N,3,5,5-Tetramethylcyclohex-2-en-1-amine
CID 21418607
trimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium bromide
CID 21502453
trimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide
CID 21502459
trimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium chloride
CID 21502513
5,6-diethyl-N-propan-2-ylcyclohex-3-en-1-amine
CID 53864753
5,6-diethyl-N-methylcyclohex-3-en-1-amine;methanamine
CID 54254781
5,6-diethyl-N-methylcyclohex-3-en-1-amine
CID 54254782

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine?
The IUPAC name of N-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine (CID 72588400) is N-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine.
What is the SMILES notation for N-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine?
The canonical SMILES for N-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine is CNC(C)C=CC1C(C)=CCCC1(C)C.
What is the InChIKey of N-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine?
The InChIKey is VOBIJSIRWXDYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)15-5/h7-9,12-13,15H,6,10H2,1-5H3.
What are the key properties of N-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine?
N-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine has a molecular weight of 207.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine is sourced from PubChem (CID 72588400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).