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

C15H20N2 — CID 143323373

IUPAC1-(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
InChIInChI=1S/C15H20N2/c1-4-7-12-11-9-6-8-10(3)13(11)15(14(12)16)17-5-2/h4-5,7,11H,3,6,8-9,16H2,1-2H3/b7-4-,17-5+
InChIKeyBHDCAORDLVPMAL-HKEIHEBHSA-N
MW228.34 g/mol
LogP3.49
Rot. Bonds2

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

1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine (PubChem CID 143323373) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine.

Molecular Properties

Compound Name1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine
PubChem CID143323373
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-(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
InChIInChI=1S/C15H20N2/c1-4-7-12-11-9-6-8-10(3)13(11)15(14(12)16)17-5-2/h4-5,7,11H,3,6,8-9,16H2,1-2H3/b7-4-,17-5+
InChIKeyBHDCAORDLVPMAL-HKEIHEBHSA-N
XLogP3.49
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine?
The IUPAC name of 1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine (CID 143323373) is 1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine.
What is the SMILES notation for 1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine?
The canonical SMILES for 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.
What is the InChIKey of 1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine?
The InChIKey is BHDCAORDLVPMAL-HKEIHEBHSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-7-12-11-9-6-8-10(3)13(11)15(14(12)16)17-5-2/h4-5,7,11H,3,6,8-9,16H2,1-2H3/b7-4-,17-5+.
What are the key properties of 1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine?
1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine has a molecular weight of 228.34 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine is sourced from PubChem (CID 143323373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).