ethane;1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine

C17H26N2 — CID 143323372

IUPACethane;1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine
SMILESC=C1CCCC2C(/C=C\C)=C(N)C(/N=C/C)=C12.CC
InChIInChI=1S/C15H20N2.C2H6/c1-4-7-12-11-9-6-8-10(3)13(11)15(14(12)16)17-5-2;1-2/h4-5,7,11H,3,6,8-9,16H2,1-2H3;1-2H3/b7-4-,17-5+;
InChIKeyQHYYCZNYVZEZSF-SZHPHOQDSA-N
MW258.41 g/mol
LogP4.52
Rot. Bonds2

About ethane;1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine

ethane;1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine (PubChem CID 143323372) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is ethane;1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine.

Molecular Properties

Compound Nameethane;1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine
PubChem CID143323372
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Nameethane;1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine
SMILESC=C1CCCC2C(/C=C\C)=C(N)C(/N=C/C)=C12.CC
InChIInChI=1S/C15H20N2.C2H6/c1-4-7-12-11-9-6-8-10(3)13(11)15(14(12)16)17-5-2;1-2/h4-5,7,11H,3,6,8-9,16H2,1-2H3;1-2H3/b7-4-,17-5+;
InChIKeyQHYYCZNYVZEZSF-SZHPHOQDSA-N
XLogP4.52
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(1-Cyclohexylethenyl)-3-pentan-3-yl-3,4-dihydrocyclohepta[b]pyrrole
CID 156811290
(1E)-2,3-dimethyl-1-(4-methyl-3-pentyl-3H-pyrrol-5-yl)buta-1,3-dien-1-amine
CID 170199376
[4-(5-methyl-3H-pyrrol-4-yl)cyclohexa-1,5-dien-1-yl]methanamine
CID 176925512
(E)-3-N-[(E)-3-cyclohexylbut-2-enylidene]-2-ethenyl-1-N-methylbut-2-ene-1,3-diimine
CID 142837869
1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine
CID 143323373
(3Z,5Z,6Z)-6-(cyclohexylmethyl)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine
CID 177018977
(3Z,5Z,6Z)-6-cyclopentyl-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine
CID 177019101

Frequently Asked Questions

What is the IUPAC name of ethane;1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine?
The IUPAC name of ethane;1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine (CID 143323372) is ethane;1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine.
What is the SMILES notation for ethane;1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine?
The canonical SMILES for ethane;1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine is C=C1CCCC2C(/C=C\C)=C(N)C(/N=C/C)=C12.CC.
What is the InChIKey of ethane;1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine?
The InChIKey is QHYYCZNYVZEZSF-SZHPHOQDSA-N. The full InChI is InChI=1S/C15H20N2.C2H6/c1-4-7-12-11-9-6-8-10(3)13(11)15(14(12)16)17-5-2;1-2/h4-5,7,11H,3,6,8-9,16H2,1-2H3;1-2H3/b7-4-,17-5+;.
What are the key properties of ethane;1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine?
ethane;1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine has a molecular weight of 258.41 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine is sourced from PubChem (CID 143323372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).