N,3-dimethyl-6-propylidenecyclohexa-2,4-dien-1-amine

C11H17N — CID 123331695

IUPACN,3-dimethyl-6-propylidenecyclohexa-2,4-dien-1-amine
SMILESCCC=C1C=CC(C)=CC1NC
InChIInChI=1S/C11H17N/c1-4-5-10-7-6-9(2)8-11(10)12-3/h5-8,11-12H,4H2,1-3H3
InChIKeyVPSCDZBTKRUMAH-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.43
Rot. Bonds2

About N,3-dimethyl-6-propylidenecyclohexa-2,4-dien-1-amine

N,3-dimethyl-6-propylidenecyclohexa-2,4-dien-1-amine (PubChem CID 123331695) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N,3-dimethyl-6-propylidenecyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-6-propylidenecyclohexa-2,4-dien-1-amine
PubChem CID123331695
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN,3-dimethyl-6-propylidenecyclohexa-2,4-dien-1-amine
SMILESCCC=C1C=CC(C)=CC1NC
InChIInChI=1S/C11H17N/c1-4-5-10-7-6-9(2)8-11(10)12-3/h5-8,11-12H,4H2,1-3H3
InChIKeyVPSCDZBTKRUMAH-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
1-(Cyclohexa-1,4-dien-1-yl)-N-methylpropan-2-amine
CID 57487843
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
Phenhomazine
CID 3081938
(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1272098
2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CID 3123936
2,6-Diallyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 3143282
(2S,6R)-2,6-bis(2-methylprop-2-enyl)-1,2,5,6-tetrahydropyridine
CID 7175881
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 16956080
Pyridine, 3-ethyl-1,2,5,6-tetrahydro-6-methyl-
CID 23423764

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-6-propylidenecyclohexa-2,4-dien-1-amine?
The IUPAC name of N,3-dimethyl-6-propylidenecyclohexa-2,4-dien-1-amine (CID 123331695) is N,3-dimethyl-6-propylidenecyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,3-dimethyl-6-propylidenecyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,3-dimethyl-6-propylidenecyclohexa-2,4-dien-1-amine is CCC=C1C=CC(C)=CC1NC.
What is the InChIKey of N,3-dimethyl-6-propylidenecyclohexa-2,4-dien-1-amine?
The InChIKey is VPSCDZBTKRUMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-5-10-7-6-9(2)8-11(10)12-3/h5-8,11-12H,4H2,1-3H3.
What are the key properties of N,3-dimethyl-6-propylidenecyclohexa-2,4-dien-1-amine?
N,3-dimethyl-6-propylidenecyclohexa-2,4-dien-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-6-propylidenecyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 123331695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).