N'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine

C13H24N4 — CID 62132183

IUPACN'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine
SMILESCn1ccnc1N(CCCN)C1CCCCC1
InChIInChI=1S/C13H24N4/c1-16-11-9-15-13(16)17(10-5-8-14)12-6-3-2-4-7-12/h9,11-12H,2-8,10,14H2,1H3
InChIKeyIVVCGWLNHGXNFE-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.91
Rot. Bonds5

About N'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine

N'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine (PubChem CID 62132183) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine
PubChem CID62132183
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine
SMILESCn1ccnc1N(CCCN)C1CCCCC1
InChIInChI=1S/C13H24N4/c1-16-11-9-15-13(16)17(10-5-8-14)12-6-3-2-4-7-12/h9,11-12H,2-8,10,14H2,1H3
InChIKeyIVVCGWLNHGXNFE-UHFFFAOYSA-N
XLogP1.91
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine (CID 62132183) is N'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine is Cn1ccnc1N(CCCN)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine?
The InChIKey is IVVCGWLNHGXNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-16-11-9-15-13(16)17(10-5-8-14)12-6-3-2-4-7-12/h9,11-12H,2-8,10,14H2,1H3.
What are the key properties of N'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine?
N'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 62132183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).