N-methyl-1-(4-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)ethenamine

C13H21N — CID 170381049

IUPACN-methyl-1-(4-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)ethenamine
SMILESC=C(NC)C1=CCC(C)(C(C)C)C=C1
InChIInChI=1S/C13H21N/c1-10(2)13(4)8-6-12(7-9-13)11(3)14-5/h6-8,10,14H,3,9H2,1-2,4-5H3
InChIKeyWRNBTVAGRFUAQB-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.27
Rot. Bonds3

About N-methyl-1-(4-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)ethenamine

N-methyl-1-(4-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)ethenamine (PubChem CID 170381049) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)ethenamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)ethenamine
PubChem CID170381049
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-methyl-1-(4-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)ethenamine
SMILESC=C(NC)C1=CCC(C)(C(C)C)C=C1
InChIInChI=1S/C13H21N/c1-10(2)13(4)8-6-12(7-9-13)11(3)14-5/h6-8,10,14H,3,9H2,1-2,4-5H3
InChIKeyWRNBTVAGRFUAQB-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene
CID 129146561
N-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide
CID 70944232
4-methyl-4-propan-2-ylcyclohex-2-en-1-one
CID 71303376
3-fluoro-2,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene
CID 130179158
4-formyl-4-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
CID 141478377
benzyl 2-[[1-methyl-4-[1-(prop-1-en-2-ylamino)ethenyl]cyclohexa-2,4-dien-1-yl]amino]-2-oxoacetate
CID 135225403
5-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-ol
CID 67420947
2-amino-N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)propanamide
CID 170232396
(E)-1,3-bis(4,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-one
CID 18339304
(Z)-2-N-(bromomethyl)-1-N-[(1E,3E)-4-chloro-1-(methylamino)penta-1,3-dien-2-yl]-1-(4-chloro-1-methylcyclohexa-2,4-dien-1-yl)-4-methylidene-3-(methylideneamino)-2-N-propan-2-ylhex-2-en-5-yne-1,2-diamine
CID 138657423
2-[[4-[2-(4-ethylphenyl)ethynyl]-4-methylcyclohexa-1,5-diene-1-carbonyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 130239000
1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine
CID 67710763

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)ethenamine?
The IUPAC name of N-methyl-1-(4-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)ethenamine (CID 170381049) is N-methyl-1-(4-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)ethenamine.
What is the SMILES notation for N-methyl-1-(4-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)ethenamine?
The canonical SMILES for N-methyl-1-(4-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)ethenamine is C=C(NC)C1=CCC(C)(C(C)C)C=C1.
What is the InChIKey of N-methyl-1-(4-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)ethenamine?
The InChIKey is WRNBTVAGRFUAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10(2)13(4)8-6-12(7-9-13)11(3)14-5/h6-8,10,14H,3,9H2,1-2,4-5H3.
What are the key properties of N-methyl-1-(4-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)ethenamine?
N-methyl-1-(4-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)ethenamine has a molecular weight of 191.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)ethenamine is sourced from PubChem (CID 170381049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).