ethane;[4-ethyl-3-(ethylideneamino)cyclohepta-1,3,6-trien-1-yl]methanamine

C14H24N2 — CID 143346533

IUPACethane;[4-ethyl-3-(ethylideneamino)cyclohepta-1,3,6-trien-1-yl]methanamine
SMILESC/C=N/C1=C(CC)CC=CC(CN)=C1.CC
InChIInChI=1S/C12H18N2.C2H6/c1-3-11-7-5-6-10(9-13)8-12(11)14-4-2;1-2/h4-6,8H,3,7,9,13H2,1-2H3;1-2H3/b14-4+;
InChIKeyKXIOIURZEPVWMR-BIZGWHPPSA-N
MW220.36 g/mol
LogP3.61
Rot. Bonds3

About ethane;[4-ethyl-3-(ethylideneamino)cyclohepta-1,3,6-trien-1-yl]methanamine

ethane;[4-ethyl-3-(ethylideneamino)cyclohepta-1,3,6-trien-1-yl]methanamine (PubChem CID 143346533) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;[4-ethyl-3-(ethylideneamino)cyclohepta-1,3,6-trien-1-yl]methanamine.

Molecular Properties

Compound Nameethane;[4-ethyl-3-(ethylideneamino)cyclohepta-1,3,6-trien-1-yl]methanamine
PubChem CID143346533
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Nameethane;[4-ethyl-3-(ethylideneamino)cyclohepta-1,3,6-trien-1-yl]methanamine
SMILESC/C=N/C1=C(CC)CC=CC(CN)=C1.CC
InChIInChI=1S/C12H18N2.C2H6/c1-3-11-7-5-6-10(9-13)8-12(11)14-4-2;1-2/h4-6,8H,3,7,9,13H2,1-2H3;1-2H3/b14-4+;
InChIKeyKXIOIURZEPVWMR-BIZGWHPPSA-N
XLogP3.61
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.61
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 ethane;[4-ethyl-3-(ethylideneamino)cyclohepta-1,3,6-trien-1-yl]methanamine?
The IUPAC name of ethane;[4-ethyl-3-(ethylideneamino)cyclohepta-1,3,6-trien-1-yl]methanamine (CID 143346533) is ethane;[4-ethyl-3-(ethylideneamino)cyclohepta-1,3,6-trien-1-yl]methanamine.
What is the SMILES notation for ethane;[4-ethyl-3-(ethylideneamino)cyclohepta-1,3,6-trien-1-yl]methanamine?
The canonical SMILES for ethane;[4-ethyl-3-(ethylideneamino)cyclohepta-1,3,6-trien-1-yl]methanamine is C/C=N/C1=C(CC)CC=CC(CN)=C1.CC.
What is the InChIKey of ethane;[4-ethyl-3-(ethylideneamino)cyclohepta-1,3,6-trien-1-yl]methanamine?
The InChIKey is KXIOIURZEPVWMR-BIZGWHPPSA-N. The full InChI is InChI=1S/C12H18N2.C2H6/c1-3-11-7-5-6-10(9-13)8-12(11)14-4-2;1-2/h4-6,8H,3,7,9,13H2,1-2H3;1-2H3/b14-4+;.
What are the key properties of ethane;[4-ethyl-3-(ethylideneamino)cyclohepta-1,3,6-trien-1-yl]methanamine?
ethane;[4-ethyl-3-(ethylideneamino)cyclohepta-1,3,6-trien-1-yl]methanamine has a molecular weight of 220.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-ethyl-3-(ethylideneamino)cyclohepta-1,3,6-trien-1-yl]methanamine is sourced from PubChem (CID 143346533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).