1-N'-ethyl-1-N-(3-methylcyclohexa-1,5-dien-1-yl)-1-N'-[(3-methylcyclopentyl)methyl]ethene-1,1-diamine

C18H30N2 — CID 138507796

IUPAC1-N'-ethyl-1-N-(3-methylcyclohexa-1,5-dien-1-yl)-1-N'-[(3-methylcyclopentyl)methyl]ethene-1,1-diamine
SMILESC=C(NC1=CC(C)CC=C1)N(CC)CC1CCC(C)C1
InChIInChI=1S/C18H30N2/c1-5-20(13-17-10-9-15(3)11-17)16(4)19-18-8-6-7-14(2)12-18/h6,8,12,14-15,17,19H,4-5,7,9-11,13H2,1-3H3
InChIKeyXXKJLELIOSCGTM-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.29
Rot. Bonds6

About 1-N'-ethyl-1-N-(3-methylcyclohexa-1,5-dien-1-yl)-1-N'-[(3-methylcyclopentyl)methyl]ethene-1,1-diamine

1-N'-ethyl-1-N-(3-methylcyclohexa-1,5-dien-1-yl)-1-N'-[(3-methylcyclopentyl)methyl]ethene-1,1-diamine (PubChem CID 138507796) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-N'-ethyl-1-N-(3-methylcyclohexa-1,5-dien-1-yl)-1-N'-[(3-methylcyclopentyl)methyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-ethyl-1-N-(3-methylcyclohexa-1,5-dien-1-yl)-1-N'-[(3-methylcyclopentyl)methyl]ethene-1,1-diamine
PubChem CID138507796
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-N'-ethyl-1-N-(3-methylcyclohexa-1,5-dien-1-yl)-1-N'-[(3-methylcyclopentyl)methyl]ethene-1,1-diamine
SMILESC=C(NC1=CC(C)CC=C1)N(CC)CC1CCC(C)C1
InChIInChI=1S/C18H30N2/c1-5-20(13-17-10-9-15(3)11-17)16(4)19-18-8-6-7-14(2)12-18/h6,8,12,14-15,17,19H,4-5,7,9-11,13H2,1-3H3
InChIKeyXXKJLELIOSCGTM-UHFFFAOYSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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9-(4-Methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole
CID 118200030
1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine
CID 123443027
N-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine
CID 138507681
2-methyl-3-[(5S)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-1,2-dihydroimidazole
CID 142521721
2-Methyl-3-(3,4,5-trimethylcyclohexa-1,3-dien-1-yl)-1,2-dihydroimidazole
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3-(4-Methylpentyl)-1,2,6,7-tetrahydrobenzimidazole
CID 143246064
N-methyl-1-(1-methylpiperidin-4-yl)-N'-[(3E,5Z)-octa-3,5-dien-4-yl]methanediamine
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4-[5-[(Z)-but-1-enyl]-3,4-dimethyl-1,2-dihydroimidazol-2-yl]-1-methylpiperidine;ethene
CID 144217353
N-methyl-6-(3-methylpentyl)-3-propyl-1,2-dihydropyridin-2-amine
CID 146551795
(3Z,5E,8Z)-N-[(1Z)-1-[4-[2-(dipropylamino)ethyl]piperidin-1-yl]-2-methylbuta-1,3-dienyl]-9-ethyl-2-methyl-7-methylideneundeca-3,5,8,10-tetraen-5-amine
CID 155111176

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-1-N-(3-methylcyclohexa-1,5-dien-1-yl)-1-N'-[(3-methylcyclopentyl)methyl]ethene-1,1-diamine?
The IUPAC name of 1-N'-ethyl-1-N-(3-methylcyclohexa-1,5-dien-1-yl)-1-N'-[(3-methylcyclopentyl)methyl]ethene-1,1-diamine (CID 138507796) is 1-N'-ethyl-1-N-(3-methylcyclohexa-1,5-dien-1-yl)-1-N'-[(3-methylcyclopentyl)methyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-ethyl-1-N-(3-methylcyclohexa-1,5-dien-1-yl)-1-N'-[(3-methylcyclopentyl)methyl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-ethyl-1-N-(3-methylcyclohexa-1,5-dien-1-yl)-1-N'-[(3-methylcyclopentyl)methyl]ethene-1,1-diamine is C=C(NC1=CC(C)CC=C1)N(CC)CC1CCC(C)C1.
What is the InChIKey of 1-N'-ethyl-1-N-(3-methylcyclohexa-1,5-dien-1-yl)-1-N'-[(3-methylcyclopentyl)methyl]ethene-1,1-diamine?
The InChIKey is XXKJLELIOSCGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-20(13-17-10-9-15(3)11-17)16(4)19-18-8-6-7-14(2)12-18/h6,8,12,14-15,17,19H,4-5,7,9-11,13H2,1-3H3.
What are the key properties of 1-N'-ethyl-1-N-(3-methylcyclohexa-1,5-dien-1-yl)-1-N'-[(3-methylcyclopentyl)methyl]ethene-1,1-diamine?
1-N'-ethyl-1-N-(3-methylcyclohexa-1,5-dien-1-yl)-1-N'-[(3-methylcyclopentyl)methyl]ethene-1,1-diamine has a molecular weight of 274.45 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-1-N-(3-methylcyclohexa-1,5-dien-1-yl)-1-N'-[(3-methylcyclopentyl)methyl]ethene-1,1-diamine is sourced from PubChem (CID 138507796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).