(E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine

C16H19N — CID 70906139

IUPAC(E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine
SMILESC/C=C\C1=C(/C=C/N)C(C)(C)c2ccccc21
InChIInChI=1S/C16H19N/c1-4-7-12-13-8-5-6-9-14(13)16(2,3)15(12)10-11-17/h4-11H,17H2,1-3H3/b7-4-,11-10+
InChIKeyMALBOTMEAZYQTH-BYVLWLTESA-N
MW225.34 g/mol
LogP3.78
Rot. Bonds2

About (E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine

(E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine (PubChem CID 70906139) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is (E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine.

Molecular Properties

Compound Name(E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine
PubChem CID70906139
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name(E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine
SMILESC/C=C\C1=C(/C=C/N)C(C)(C)c2ccccc21
InChIInChI=1S/C16H19N/c1-4-7-12-13-8-5-6-9-14(13)16(2,3)15(12)10-11-17/h4-11H,17H2,1-3H3/b7-4-,11-10+
InChIKeyMALBOTMEAZYQTH-BYVLWLTESA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
CID 177033619
N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine
CID 129111188
2,3-bis(ethenyl)-1,1-dimethylindene
CID 123900265
3-[3-[3-[(Z)-2-[3,3-dimethyl-2-[(E)-prop-1-enyl]inden-1-yl]ethenyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole
CID 144640124
3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
1,2-dimethyl-1-phenyl-3-[(Z)-prop-1-enyl]indene;ethane;methylphosphane
CID 153369563
ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
CID 176927954
2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine
CID 163887285
2-[(1Z)-buta-1,3-dienyl]-2'-ethenyl-3-methyl-3'-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 142597844
[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid
CID 142314021
3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol
CID 146669709
4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene
CID 145322301

Frequently Asked Questions

What is the IUPAC name of (E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine?
The IUPAC name of (E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine (CID 70906139) is (E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine.
What is the SMILES notation for (E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine?
The canonical SMILES for (E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine is C/C=C\C1=C(/C=C/N)C(C)(C)c2ccccc21.
What is the InChIKey of (E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine?
The InChIKey is MALBOTMEAZYQTH-BYVLWLTESA-N. The full InChI is InChI=1S/C16H19N/c1-4-7-12-13-8-5-6-9-14(13)16(2,3)15(12)10-11-17/h4-11H,17H2,1-3H3/b7-4-,11-10+.
What are the key properties of (E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine?
(E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine has a molecular weight of 225.34 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine is sourced from PubChem (CID 70906139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).