1-(4-tert-butylcyclohepta-1,3,6-trien-1-yl)ethenamine;ethene

C15H23N — CID 145194780

IUPAC1-(4-tert-butylcyclohepta-1,3,6-trien-1-yl)ethenamine;ethene
SMILESC=C.C=C(N)C1=CC=C(C(C)(C)C)CC=C1
InChIInChI=1S/C13H19N.C2H4/c1-10(14)11-6-5-7-12(9-8-11)13(2,3)4;1-2/h5-6,8-9H,1,7,14H2,2-4H3;1-2H2
InChIKeyNWNZNXOYBFNTOL-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.12
Rot. Bonds1

About 1-(4-tert-butylcyclohepta-1,3,6-trien-1-yl)ethenamine;ethene

1-(4-tert-butylcyclohepta-1,3,6-trien-1-yl)ethenamine;ethene (PubChem CID 145194780) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohepta-1,3,6-trien-1-yl)ethenamine;ethene.

Molecular Properties

Compound Name1-(4-tert-butylcyclohepta-1,3,6-trien-1-yl)ethenamine;ethene
PubChem CID145194780
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(4-tert-butylcyclohepta-1,3,6-trien-1-yl)ethenamine;ethene
SMILESC=C.C=C(N)C1=CC=C(C(C)(C)C)CC=C1
InChIInChI=1S/C13H19N.C2H4/c1-10(14)11-6-5-7-12(9-8-11)13(2,3)4;1-2/h5-6,8-9H,1,7,14H2,2-4H3;1-2H2
InChIKeyNWNZNXOYBFNTOL-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-4-(3-methylpentan-3-yl)cyclohepta-1,3,5-triene
CID 142912558
1-tert-butylcyclopenta-1,3-diene;dichlorozirconium
CID 175242307
3-tert-butylcyclohexa-2,5-dien-1-one;ethane
CID 91497487
1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine
CID 170198624
4-[1-(iodoamino)-2-methylpropan-2-yl]cyclohepta-1,3,6-trien-1-ol
CID 143092518
[1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropylidene]tungsten
CID 171729999
1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanone
CID 142851451
ethane;4-[1-(iodoamino)-2-methylpropan-2-yl]cyclohepta-1,3,6-trien-1-ol
CID 143092517
1-tert-butylcyclopenta-1,3-diene;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole
CID 159900918
3-tert-butyl-4H-pyran
CID 167154737
ethane;3-methylazetidine;1-methyl-4-prop-1-en-2-ylcyclohepta-1,3,5-triene
CID 153392432
(2Z)-2-(3-tert-butylcyclohexa-2,5-dien-1-ylidene)-2-isocyanoacetonitrile
CID 58596469

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohepta-1,3,6-trien-1-yl)ethenamine;ethene?
The IUPAC name of 1-(4-tert-butylcyclohepta-1,3,6-trien-1-yl)ethenamine;ethene (CID 145194780) is 1-(4-tert-butylcyclohepta-1,3,6-trien-1-yl)ethenamine;ethene.
What is the SMILES notation for 1-(4-tert-butylcyclohepta-1,3,6-trien-1-yl)ethenamine;ethene?
The canonical SMILES for 1-(4-tert-butylcyclohepta-1,3,6-trien-1-yl)ethenamine;ethene is C=C.C=C(N)C1=CC=C(C(C)(C)C)CC=C1.
What is the InChIKey of 1-(4-tert-butylcyclohepta-1,3,6-trien-1-yl)ethenamine;ethene?
The InChIKey is NWNZNXOYBFNTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C2H4/c1-10(14)11-6-5-7-12(9-8-11)13(2,3)4;1-2/h5-6,8-9H,1,7,14H2,2-4H3;1-2H2.
What are the key properties of 1-(4-tert-butylcyclohepta-1,3,6-trien-1-yl)ethenamine;ethene?
1-(4-tert-butylcyclohepta-1,3,6-trien-1-yl)ethenamine;ethene has a molecular weight of 217.36 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohepta-1,3,6-trien-1-yl)ethenamine;ethene is sourced from PubChem (CID 145194780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).