ethane;2-methanimidoyl-5-[(1-methylcyclopropyl)methyl]aniline

C14H22N2 — CID 144912566

IUPACethane;2-methanimidoyl-5-[(1-methylcyclopropyl)methyl]aniline
SMILESCC.[H]/N=C/c1ccc(CC2(C)CC2)cc1N
InChIInChI=1S/C12H16N2.C2H6/c1-12(4-5-12)7-9-2-3-10(8-13)11(14)6-9;1-2/h2-3,6,8,13H,4-5,7,14H2,1H3;1-2H3/b13-8+;
InChIKeyMKCABQKIZHHWJX-FNXZNAJJSA-N
MW218.34 g/mol
LogP3.64
Rot. Bonds3

About ethane;2-methanimidoyl-5-[(1-methylcyclopropyl)methyl]aniline

ethane;2-methanimidoyl-5-[(1-methylcyclopropyl)methyl]aniline (PubChem CID 144912566) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is ethane;2-methanimidoyl-5-[(1-methylcyclopropyl)methyl]aniline.

Molecular Properties

Compound Nameethane;2-methanimidoyl-5-[(1-methylcyclopropyl)methyl]aniline
PubChem CID144912566
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Nameethane;2-methanimidoyl-5-[(1-methylcyclopropyl)methyl]aniline
SMILESCC.[H]/N=C/c1ccc(CC2(C)CC2)cc1N
InChIInChI=1S/C12H16N2.C2H6/c1-12(4-5-12)7-9-2-3-10(8-13)11(14)6-9;1-2/h2-3,6,8,13H,4-5,7,14H2,1H3;1-2H3/b13-8+;
InChIKeyMKCABQKIZHHWJX-FNXZNAJJSA-N
XLogP3.64
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methanimidoyl-5-[(1-methylcyclopropyl)methyl]aniline?
The IUPAC name of ethane;2-methanimidoyl-5-[(1-methylcyclopropyl)methyl]aniline (CID 144912566) is ethane;2-methanimidoyl-5-[(1-methylcyclopropyl)methyl]aniline.
What is the SMILES notation for ethane;2-methanimidoyl-5-[(1-methylcyclopropyl)methyl]aniline?
The canonical SMILES for ethane;2-methanimidoyl-5-[(1-methylcyclopropyl)methyl]aniline is CC.[H]/N=C/c1ccc(CC2(C)CC2)cc1N.
What is the InChIKey of ethane;2-methanimidoyl-5-[(1-methylcyclopropyl)methyl]aniline?
The InChIKey is MKCABQKIZHHWJX-FNXZNAJJSA-N. The full InChI is InChI=1S/C12H16N2.C2H6/c1-12(4-5-12)7-9-2-3-10(8-13)11(14)6-9;1-2/h2-3,6,8,13H,4-5,7,14H2,1H3;1-2H3/b13-8+;.
What are the key properties of ethane;2-methanimidoyl-5-[(1-methylcyclopropyl)methyl]aniline?
ethane;2-methanimidoyl-5-[(1-methylcyclopropyl)methyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methanimidoyl-5-[(1-methylcyclopropyl)methyl]aniline is sourced from PubChem (CID 144912566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).