acetaldehyde;ethane;[4-(methylamino)cyclohexyl]urea

C12H27N3O2 — CID 144985751

IUPACacetaldehyde;ethane;[4-(methylamino)cyclohexyl]urea
SMILESCC.CC=O.CNC1CCC(NC(N)=O)CC1
InChIInChI=1S/C8H17N3O.C2H4O.C2H6/c1-10-6-2-4-7(5-3-6)11-8(9)12;1-2-3;1-2/h6-7,10H,2-5H2,1H3,(H3,9,11,12);2H,1H3;1-2H3
InChIKeyDBPVOPDIJLDLPL-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.42
Rot. Bonds2

About acetaldehyde;ethane;[4-(methylamino)cyclohexyl]urea

acetaldehyde;ethane;[4-(methylamino)cyclohexyl]urea (PubChem CID 144985751) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is acetaldehyde;ethane;[4-(methylamino)cyclohexyl]urea.

Molecular Properties

Compound Nameacetaldehyde;ethane;[4-(methylamino)cyclohexyl]urea
PubChem CID144985751
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Nameacetaldehyde;ethane;[4-(methylamino)cyclohexyl]urea
SMILESCC.CC=O.CNC1CCC(NC(N)=O)CC1
InChIInChI=1S/C8H17N3O.C2H4O.C2H6/c1-10-6-2-4-7(5-3-6)11-8(9)12;1-2-3;1-2/h6-7,10H,2-5H2,1H3,(H3,9,11,12);2H,1H3;1-2H3
InChIKeyDBPVOPDIJLDLPL-UHFFFAOYSA-N
XLogP1.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclobutylurea;ethane
CID 145319429
1,3-bis[4-(carbamoylamino)cyclohexyl]urea
CID 163452854
(4-chlorocyclohexyl)urea
CID 86732946
cyclohexylurea;methanamine
CID 142108304
[4-(ethylamino)cyclohexyl]urea
CID 43653665
[4-(dimethylamino)cyclohexyl]urea
CID 59286114
methyl 4-(carbamoylamino)cyclohexane-1-carboxylate
CID 47585856
[4-(aminomethyl)cyclohexyl]urea
CID 130538291
methyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653640
3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide
CID 79110593
ethyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653652
acetaldehyde;N-cyclohexylcyclopropanecarboxamide
CID 143959717

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;[4-(methylamino)cyclohexyl]urea?
The IUPAC name of acetaldehyde;ethane;[4-(methylamino)cyclohexyl]urea (CID 144985751) is acetaldehyde;ethane;[4-(methylamino)cyclohexyl]urea.
What is the SMILES notation for acetaldehyde;ethane;[4-(methylamino)cyclohexyl]urea?
The canonical SMILES for acetaldehyde;ethane;[4-(methylamino)cyclohexyl]urea is CC.CC=O.CNC1CCC(NC(N)=O)CC1.
What is the InChIKey of acetaldehyde;ethane;[4-(methylamino)cyclohexyl]urea?
The InChIKey is DBPVOPDIJLDLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.C2H4O.C2H6/c1-10-6-2-4-7(5-3-6)11-8(9)12;1-2-3;1-2/h6-7,10H,2-5H2,1H3,(H3,9,11,12);2H,1H3;1-2H3.
What are the key properties of acetaldehyde;ethane;[4-(methylamino)cyclohexyl]urea?
acetaldehyde;ethane;[4-(methylamino)cyclohexyl]urea has a molecular weight of 245.37 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;[4-(methylamino)cyclohexyl]urea is sourced from PubChem (CID 144985751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).