1-cyclohexa-1,3-dien-1-yl-N,N-dimethylpropan-1-amine

C11H19N — CID 145352647

IUPAC1-cyclohexa-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
SMILESCCC(C1=CC=CCC1)N(C)C
InChIInChI=1S/C11H19N/c1-4-11(12(2)3)10-8-6-5-7-9-10/h5-6,8,11H,4,7,9H2,1-3H3
InChIKeyLPCOWWSTSKEYBK-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.60
Rot. Bonds3

About 1-cyclohexa-1,3-dien-1-yl-N,N-dimethylpropan-1-amine

1-cyclohexa-1,3-dien-1-yl-N,N-dimethylpropan-1-amine (PubChem CID 145352647) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
PubChem CID145352647
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-cyclohexa-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
SMILESCCC(C1=CC=CCC1)N(C)C
InChIInChI=1S/C11H19N/c1-4-11(12(2)3)10-8-6-5-7-9-10/h5-6,8,11H,4,7,9H2,1-3H3
InChIKeyLPCOWWSTSKEYBK-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N,4-Dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-enaminium
CID 657066
(1R)-N,4-Dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-enaminium
CID 657068
(1R)-N,N,4-trimethylcyclohex-3-en-1-amine
CID 447259
Pyridine, 1-butyl-3,5-diethyl-1,2-dihydro-2-propyl-
CID 114238
1,1'-Dimethyl-1,1',2,2',3,3',6,6'-octahydro-4,4'-bipyridine
CID 171013
C14H19FeN
CID 16212256
(R)-(+)-N,N-Dimethyl-1-ferrocenylethylamine, 97%
CID 16212257
n,n-Dimethylcyclohex-2-en-1-amine
CID 258772
n,n-Diethylcyclohex-2-en-1-amine
CID 258777
alpha-(N,N-Dimethylamino)ethylferrocene
CID 11010616
Ethyl viologen
CID 91704654
-(N,N-Dimethylamino)ethylferrocene
CID 102600828

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-N,N-dimethylpropan-1-amine?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-N,N-dimethylpropan-1-amine (CID 145352647) is 1-cyclohexa-1,3-dien-1-yl-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-N,N-dimethylpropan-1-amine is CCC(C1=CC=CCC1)N(C)C.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-N,N-dimethylpropan-1-amine?
The InChIKey is LPCOWWSTSKEYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-11(12(2)3)10-8-6-5-7-9-10/h5-6,8,11H,4,7,9H2,1-3H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-N,N-dimethylpropan-1-amine?
1-cyclohexa-1,3-dien-1-yl-N,N-dimethylpropan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 145352647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).