N,N-dimethyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-amine

C14H25N — CID 53439452

IUPACN,N-dimethyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-amine
SMILESCC1=C(C=CCN(C)C)C(C)(C)CCC1
InChIInChI=1S/C14H25N/c1-12-8-6-10-14(2,3)13(12)9-7-11-15(4)5/h7,9H,6,8,10-11H2,1-5H3
InChIKeyDBLJXZBEECNLBV-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.63
Rot. Bonds3

About N,N-dimethyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-amine

N,N-dimethyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-amine (PubChem CID 53439452) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N,N-dimethyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-amine
PubChem CID53439452
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN,N-dimethyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-amine
SMILESCC1=C(C=CCN(C)C)C(C)(C)CCC1
InChIInChI=1S/C14H25N/c1-12-8-6-10-14(2,3)13(12)9-7-11-15(4)5/h7,9H,6,8,10-11H2,1-5H3
InChIKeyDBLJXZBEECNLBV-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)allyl]trimethylammonium iodide
CID 71966166
[3-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)allyl]dimethylamine
CID 129819937
N,N-diethyl-3,7,7,11,11-pentamethyldodec-2-en-1-amine
CID 170848010
n,n-Dimethyl-1-(1,3,5-trimethyl-2-pentylcyclohexa-2,4-dien-1-yl)methanamine
CID 233422
N,N-Dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-amine
CID 53439371
(E)-N,N-dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-amine
CID 90473545
(2E,4E,6E,8E,10E)-N,2,5,9-tetramethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaen-1-amine
CID 13730294
trimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]azanium iodide
CID 21502444
(2E,4E)-N,N,3-trimethyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-amine
CID 21502449
(E)-N,N-dimethyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-amine
CID 21502470
[3-(2,6,6-Trimethyl-1-cyclohexenyl)-2(trans)-propenyl]trimethylammonium iodide
CID 21502479
trimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]azanium chloride
CID 21502488

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-amine?
The IUPAC name of N,N-dimethyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-amine (CID 53439452) is N,N-dimethyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-amine is CC1=C(C=CCN(C)C)C(C)(C)CCC1.
What is the InChIKey of N,N-dimethyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-amine?
The InChIKey is DBLJXZBEECNLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-12-8-6-10-14(2,3)13(12)9-7-11-15(4)5/h7,9H,6,8,10-11H2,1-5H3.
What are the key properties of N,N-dimethyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-amine?
N,N-dimethyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-amine is sourced from PubChem (CID 53439452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).