N-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine

C12H24N4 — CID 114400565

IUPACN-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCCN(C1=NCCN1)C1CCCCC1CN
InChIInChI=1S/C12H24N4/c1-2-16(12-14-7-8-15-12)11-6-4-3-5-10(11)9-13/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyKRJAMAQMRDNGTM-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.79
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine

N-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 114400565) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID114400565
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCCN(C1=NCCN1)C1CCCCC1CN
InChIInChI=1S/C12H24N4/c1-2-16(12-14-7-8-15-12)11-6-4-3-5-10(11)9-13/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyKRJAMAQMRDNGTM-UHFFFAOYSA-N
XLogP0.79
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine (CID 114400565) is N-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine is CCN(C1=NCCN1)C1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is KRJAMAQMRDNGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-2-16(12-14-7-8-15-12)11-6-4-3-5-10(11)9-13/h10-11H,2-9,13H2,1H3,(H,14,15).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine?
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 224.35 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 114400565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).