N-[(E)-6-ethyl-4-(methylaminomethylimino)non-2-en-2-yl]cyclohexanamine

C19H37N3 — CID 174067154

IUPACN-[(E)-6-ethyl-4-(methylaminomethylimino)non-2-en-2-yl]cyclohexanamine
SMILESCCCC(CC)CC(/C=C(\C)NC1CCCCC1)=NCNC
InChIInChI=1S/C19H37N3/c1-5-10-17(6-2)14-19(21-15-20-4)13-16(3)22-18-11-8-7-9-12-18/h13,17-18,20,22H,5-12,14-15H2,1-4H3/b16-13+,21-19?
InChIKeyHQUIXXMABOVDNL-AYSAZBKXSA-N
MW307.53 g/mol
LogP4.65
Rot. Bonds10

About N-[(E)-6-ethyl-4-(methylaminomethylimino)non-2-en-2-yl]cyclohexanamine

N-[(E)-6-ethyl-4-(methylaminomethylimino)non-2-en-2-yl]cyclohexanamine (PubChem CID 174067154) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is N-[(E)-6-ethyl-4-(methylaminomethylimino)non-2-en-2-yl]cyclohexanamine.

Molecular Properties

Compound NameN-[(E)-6-ethyl-4-(methylaminomethylimino)non-2-en-2-yl]cyclohexanamine
PubChem CID174067154
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC NameN-[(E)-6-ethyl-4-(methylaminomethylimino)non-2-en-2-yl]cyclohexanamine
SMILESCCCC(CC)CC(/C=C(\C)NC1CCCCC1)=NCNC
InChIInChI=1S/C19H37N3/c1-5-10-17(6-2)14-19(21-15-20-4)13-16(3)22-18-11-8-7-9-12-18/h13,17-18,20,22H,5-12,14-15H2,1-4H3/b16-13+,21-19?
InChIKeyHQUIXXMABOVDNL-AYSAZBKXSA-N
XLogP4.65
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[(E)-6-ethyl-4-(methylaminomethylimino)non-2-en-2-yl]cyclohexanamine?
The IUPAC name of N-[(E)-6-ethyl-4-(methylaminomethylimino)non-2-en-2-yl]cyclohexanamine (CID 174067154) is N-[(E)-6-ethyl-4-(methylaminomethylimino)non-2-en-2-yl]cyclohexanamine.
What is the SMILES notation for N-[(E)-6-ethyl-4-(methylaminomethylimino)non-2-en-2-yl]cyclohexanamine?
The canonical SMILES for N-[(E)-6-ethyl-4-(methylaminomethylimino)non-2-en-2-yl]cyclohexanamine is CCCC(CC)CC(/C=C(\C)NC1CCCCC1)=NCNC.
What is the InChIKey of N-[(E)-6-ethyl-4-(methylaminomethylimino)non-2-en-2-yl]cyclohexanamine?
The InChIKey is HQUIXXMABOVDNL-AYSAZBKXSA-N. The full InChI is InChI=1S/C19H37N3/c1-5-10-17(6-2)14-19(21-15-20-4)13-16(3)22-18-11-8-7-9-12-18/h13,17-18,20,22H,5-12,14-15H2,1-4H3/b16-13+,21-19?.
What are the key properties of N-[(E)-6-ethyl-4-(methylaminomethylimino)non-2-en-2-yl]cyclohexanamine?
N-[(E)-6-ethyl-4-(methylaminomethylimino)non-2-en-2-yl]cyclohexanamine has a molecular weight of 307.53 g/mol, XLogP of 4.65, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-6-ethyl-4-(methylaminomethylimino)non-2-en-2-yl]cyclohexanamine is sourced from PubChem (CID 174067154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).