N'-cyclohexyl-2-(ethyliminomethyl)prop-1-ene-1,3-diamine

C12H23N3 — CID 174101230

IUPACN'-cyclohexyl-2-(ethyliminomethyl)prop-1-ene-1,3-diamine
SMILESCC/N=C/C(=CN)CNC1CCCCC1
InChIInChI=1S/C12H23N3/c1-2-14-9-11(8-13)10-15-12-6-4-3-5-7-12/h8-9,12,15H,2-7,10,13H2,1H3/b11-8?,14-9+
InChIKeyBTYJXRGEROMNIF-MMBCCGJPSA-N
MW209.34 g/mol
LogP1.84
Rot. Bonds5

About N'-cyclohexyl-2-(ethyliminomethyl)prop-1-ene-1,3-diamine

N'-cyclohexyl-2-(ethyliminomethyl)prop-1-ene-1,3-diamine (PubChem CID 174101230) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N'-cyclohexyl-2-(ethyliminomethyl)prop-1-ene-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-2-(ethyliminomethyl)prop-1-ene-1,3-diamine
PubChem CID174101230
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN'-cyclohexyl-2-(ethyliminomethyl)prop-1-ene-1,3-diamine
SMILESCC/N=C/C(=CN)CNC1CCCCC1
InChIInChI=1S/C12H23N3/c1-2-14-9-11(8-13)10-15-12-6-4-3-5-7-12/h8-9,12,15H,2-7,10,13H2,1H3/b11-8?,14-9+
InChIKeyBTYJXRGEROMNIF-MMBCCGJPSA-N
XLogP1.84
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.84
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'-cyclohexyl-2-(ethyliminomethyl)prop-1-ene-1,3-diamine?
The IUPAC name of N'-cyclohexyl-2-(ethyliminomethyl)prop-1-ene-1,3-diamine (CID 174101230) is N'-cyclohexyl-2-(ethyliminomethyl)prop-1-ene-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-2-(ethyliminomethyl)prop-1-ene-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-2-(ethyliminomethyl)prop-1-ene-1,3-diamine is CC/N=C/C(=CN)CNC1CCCCC1.
What is the InChIKey of N'-cyclohexyl-2-(ethyliminomethyl)prop-1-ene-1,3-diamine?
The InChIKey is BTYJXRGEROMNIF-MMBCCGJPSA-N. The full InChI is InChI=1S/C12H23N3/c1-2-14-9-11(8-13)10-15-12-6-4-3-5-7-12/h8-9,12,15H,2-7,10,13H2,1H3/b11-8?,14-9+.
What are the key properties of N'-cyclohexyl-2-(ethyliminomethyl)prop-1-ene-1,3-diamine?
N'-cyclohexyl-2-(ethyliminomethyl)prop-1-ene-1,3-diamine has a molecular weight of 209.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-2-(ethyliminomethyl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 174101230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).