N-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine

C19H30N2 — CID 138507681

IUPACN-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine
SMILESC=CC1=CCC(C)C=C1NC(=C)N1CC(CC)C(CC)C1
InChIInChI=1S/C19H30N2/c1-6-16-10-9-14(4)11-19(16)20-15(5)21-12-17(7-2)18(8-3)13-21/h6,10-11,14,17-18,20H,1,5,7-9,12-13H2,2-4H3
InChIKeyBCDYICMYFZAKGV-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.45
Rot. Bonds6

About N-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine

N-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine (PubChem CID 138507681) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine
PubChem CID138507681
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine
SMILESC=CC1=CCC(C)C=C1NC(=C)N1CC(CC)C(CC)C1
InChIInChI=1S/C19H30N2/c1-6-16-10-9-14(4)11-19(16)20-15(5)21-12-17(7-2)18(8-3)13-21/h6,10-11,14,17-18,20H,1,5,7-9,12-13H2,2-4H3
InChIKeyBCDYICMYFZAKGV-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethyl)-6-pyrrolidin-1-yl-1H-pyridine-2,4-diamine
CID 69718461
1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 88949326
N'-[[5-(cyclohexa-2,4-dien-1-ylamino)-2,3,4b,5-tetrahydrocarbazol-9-yl]methyl]-1-cyclohex-2-en-1-yl-N,N'-dimethylmethanediamine
CID 89531160
(Z)-[(5R)-5,6-diethyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]-3-[(4R)-4-propan-2-ylcyclohexa-1,5-dien-1-yl]-4,5-dihydrobenzimidazol-2-ylidene]methanamine
CID 118616911
6-Methyl-2-[1-(1-methylpyrrolidin-3-yl)ethyl]-1,2-dihydropyridine
CID 121480493
1-[2,6-Di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-(6-propan-2-ylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 123292874
1-(4,6-Dimethylhepta-2,4,6-trien-3-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 123404948
3-Cyclohexa-1,5-dien-1-yl-1-methyl-4,4-di(propan-2-yl)imidazolidine
CID 124167838
3-Cyclohexa-1,5-dien-1-yl-1,2,2-trimethyl-4,4-di(propan-2-yl)imidazolidine
CID 124167923
(3E)-4-cyclohexa-2,4-dien-1-yl-N-[1-(5-methylidenepyrrolidin-3-yl)ethenyl]hexa-1,3-dien-2-amine
CID 130286048
2,6-Dimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,2-dihydropyridine
CID 135135288
1-N'-ethyl-1-N-(3-methylcyclohexa-1,5-dien-1-yl)-1-N'-[(3-methylcyclopentyl)methyl]ethene-1,1-diamine
CID 138507796

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of N-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine (CID 138507681) is N-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine is C=CC1=CCC(C)C=C1NC(=C)N1CC(CC)C(CC)C1.
What is the InChIKey of N-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is BCDYICMYFZAKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-6-16-10-9-14(4)11-19(16)20-15(5)21-12-17(7-2)18(8-3)13-21/h6,10-11,14,17-18,20H,1,5,7-9,12-13H2,2-4H3.
What are the key properties of N-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine?
N-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 286.46 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 138507681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).