1,3-diaminourea;1-methoxy-1-propylcyclohexane

C11H26N4O2 — CID 175049010

IUPAC1,3-diaminourea;1-methoxy-1-propylcyclohexane
SMILESCCCC1(OC)CCCCC1.NNC(=O)NN
InChIInChI=1S/C10H20O.CH6N4O/c1-3-7-10(11-2)8-5-4-6-9-10;2-4-1(6)5-3/h3-9H2,1-2H3;2-3H2,(H2,4,5,6)
InChIKeyHADBOANCWKZSTP-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.17
Rot. Bonds3

About 1,3-diaminourea;1-methoxy-1-propylcyclohexane

1,3-diaminourea;1-methoxy-1-propylcyclohexane (PubChem CID 175049010) has the molecular formula C11H26N4O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1,3-diaminourea;1-methoxy-1-propylcyclohexane.

Molecular Properties

Compound Name1,3-diaminourea;1-methoxy-1-propylcyclohexane
PubChem CID175049010
Molecular FormulaC11H26N4O2
Molecular Weight246.35 g/mol
Exact Mass246.21
IUPAC Name1,3-diaminourea;1-methoxy-1-propylcyclohexane
SMILESCCCC1(OC)CCCCC1.NNC(=O)NN
InChIInChI=1S/C10H20O.CH6N4O/c1-3-7-10(11-2)8-5-4-6-9-10;2-4-1(6)5-3/h3-9H2,1-2H3;2-3H2,(H2,4,5,6)
InChIKeyHADBOANCWKZSTP-UHFFFAOYSA-N
XLogP1.17
TPSA102.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,3-diaminourea;1-methoxy-1-propylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-1-propylcyclobutane
CID 118668756
4-methoxy-4-propylcyclohexane-1-carbohydrazide
CID 154638566
2-(1-methoxycyclobutyl)acetohydrazide
CID 103555801
2-(1-methoxycycloheptyl)ethanamine
CID 83905895
cycloheptane;1,3-diaminourea
CID 18624283
1-ethyl-1-methoxycyclohexane
CID 21039859
(1-propylcyclononyl) prop-2-enoate
CID 141276110
1-ethoxy-1-propylcyclohexane
CID 154221474
(1-methoxycyclooctyl)methanol
CID 165494656
(1-ethylcyclohexyl) methyl carbonate
CID 59539840
diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate
CID 103519956
2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide
CID 65051149

Frequently Asked Questions

What is the IUPAC name of 1,3-diaminourea;1-methoxy-1-propylcyclohexane?
The IUPAC name of 1,3-diaminourea;1-methoxy-1-propylcyclohexane (CID 175049010) is 1,3-diaminourea;1-methoxy-1-propylcyclohexane.
What is the SMILES notation for 1,3-diaminourea;1-methoxy-1-propylcyclohexane?
The canonical SMILES for 1,3-diaminourea;1-methoxy-1-propylcyclohexane is CCCC1(OC)CCCCC1.NNC(=O)NN.
What is the InChIKey of 1,3-diaminourea;1-methoxy-1-propylcyclohexane?
The InChIKey is HADBOANCWKZSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.CH6N4O/c1-3-7-10(11-2)8-5-4-6-9-10;2-4-1(6)5-3/h3-9H2,1-2H3;2-3H2,(H2,4,5,6).
What are the key properties of 1,3-diaminourea;1-methoxy-1-propylcyclohexane?
1,3-diaminourea;1-methoxy-1-propylcyclohexane has a molecular weight of 246.35 g/mol, XLogP of 1.17, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diaminourea;1-methoxy-1-propylcyclohexane is sourced from PubChem (CID 175049010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).