N-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N'-cyclohexylpropane-1,3-diamine

C16H30N4O — CID 135231941

IUPACN-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N'-cyclohexylpropane-1,3-diamine
SMILESNCc1nc(CCCNCCCNC2CCCCC2)co1
InChIInChI=1S/C16H30N4O/c17-12-16-20-15(13-21-16)8-4-9-18-10-5-11-19-14-6-2-1-3-7-14/h13-14,18-19H,1-12,17H2
InChIKeyRMNXENYXFORYEE-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.97
Rot. Bonds10

About N-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N'-cyclohexylpropane-1,3-diamine

N-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N'-cyclohexylpropane-1,3-diamine (PubChem CID 135231941) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N'-cyclohexylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N'-cyclohexylpropane-1,3-diamine
PubChem CID135231941
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N'-cyclohexylpropane-1,3-diamine
SMILESNCc1nc(CCCNCCCNC2CCCCC2)co1
InChIInChI=1S/C16H30N4O/c17-12-16-20-15(13-21-16)8-4-9-18-10-5-11-19-14-6-2-1-3-7-14/h13-14,18-19H,1-12,17H2
InChIKeyRMNXENYXFORYEE-UHFFFAOYSA-N
XLogP1.97
TPSA76.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N'-cyclohexylpropane-1,3-diamine?
The IUPAC name of N-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N'-cyclohexylpropane-1,3-diamine (CID 135231941) is N-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N'-cyclohexylpropane-1,3-diamine.
What is the SMILES notation for N-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N'-cyclohexylpropane-1,3-diamine?
The canonical SMILES for N-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N'-cyclohexylpropane-1,3-diamine is NCc1nc(CCCNCCCNC2CCCCC2)co1.
What is the InChIKey of N-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N'-cyclohexylpropane-1,3-diamine?
The InChIKey is RMNXENYXFORYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c17-12-16-20-15(13-21-16)8-4-9-18-10-5-11-19-14-6-2-1-3-7-14/h13-14,18-19H,1-12,17H2.
What are the key properties of N-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N'-cyclohexylpropane-1,3-diamine?
N-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N'-cyclohexylpropane-1,3-diamine has a molecular weight of 294.44 g/mol, XLogP of 1.97, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N'-cyclohexylpropane-1,3-diamine is sourced from PubChem (CID 135231941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).