3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine

C15H19N — CID 145123078

IUPAC3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine
SMILESC=CC1C(/C=C\C)/C(=N/C)C2C=CC=CC21
InChIInChI=1S/C15H19N/c1-4-8-13-11(5-2)12-9-6-7-10-14(12)15(13)16-3/h4-14H,2H2,1,3H3/b8-4-,16-15-
InChIKeyBYEPNRKSTCVOEW-CETIGSGPSA-N
MW213.32 g/mol
LogP3.42
Rot. Bonds2

About 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine

3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine (PubChem CID 145123078) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine.

Molecular Properties

Compound Name3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine
PubChem CID145123078
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine
SMILESC=CC1C(/C=C\C)/C(=N/C)C2C=CC=CC21
InChIInChI=1S/C15H19N/c1-4-8-13-11(5-2)12-9-6-7-10-14(12)15(13)16-3/h4-14H,2H2,1,3H3/b8-4-,16-15-
InChIKeyBYEPNRKSTCVOEW-CETIGSGPSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-propyl-3a,7a-dihydro-3H-indole
CID 59106252
N-methyl-1,2,3,3a,4,7a-hexahydroinden-5-imine
CID 123362281
1,3,4-Trimethyl-3a,7a-dihydroisoindol-2-ium
CID 123391115
9-ethyl-N,9-dimethyl-3,8,8a,9a-tetrahydro-1H-fluoren-2-imine
CID 123604765
4a,4b,8a,9a-Tetrahydrofluoren-9-imine
CID 134170096
N,2-dimethyl-6-[(Z)-pent-3-en-2-yl]cyclohexa-2,4-dien-1-imine
CID 142805410
3-ethenyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine
CID 145284089
1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine
CID 145299285
N-methyl-3-[3-methyl-4-(3-methylbut-3-en-2-yl)cyclohexa-1,5-dien-1-yl]butan-2-imine
CID 146649548
4-(4-ethylcyclohexa-2,4-dien-1-yl)-N-methylbutan-2-imine
CID 146649554
1-(6-ethylcyclohexa-2,4-dien-1-yl)-N-methylethanimine
CID 148835198
N,2-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-imine
CID 167052556

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine?
The IUPAC name of 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine (CID 145123078) is 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine.
What is the SMILES notation for 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine?
The canonical SMILES for 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine is C=CC1C(/C=C\C)/C(=N/C)C2C=CC=CC21.
What is the InChIKey of 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine?
The InChIKey is BYEPNRKSTCVOEW-CETIGSGPSA-N. The full InChI is InChI=1S/C15H19N/c1-4-8-13-11(5-2)12-9-6-7-10-14(12)15(13)16-3/h4-14H,2H2,1,3H3/b8-4-,16-15-.
What are the key properties of 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine?
3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine has a molecular weight of 213.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine is sourced from PubChem (CID 145123078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).