1-amino-3-(2-aminocyclohexyl)-1-propylurea

C10H22N4O — CID 70965728

IUPAC1-amino-3-(2-aminocyclohexyl)-1-propylurea
SMILESCCCN(N)C(=O)NC1CCCCC1N
InChIInChI=1S/C10H22N4O/c1-2-7-14(12)10(15)13-9-6-4-3-5-8(9)11/h8-9H,2-7,11-12H2,1H3,(H,13,15)
InChIKeyHQEQCZCXNVWDGQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.55
Rot. Bonds3

About 1-amino-3-(2-aminocyclohexyl)-1-propylurea

1-amino-3-(2-aminocyclohexyl)-1-propylurea (PubChem CID 70965728) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-amino-3-(2-aminocyclohexyl)-1-propylurea.

Molecular Properties

Compound Name1-amino-3-(2-aminocyclohexyl)-1-propylurea
PubChem CID70965728
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name1-amino-3-(2-aminocyclohexyl)-1-propylurea
SMILESCCCN(N)C(=O)NC1CCCCC1N
InChIInChI=1S/C10H22N4O/c1-2-7-14(12)10(15)13-9-6-4-3-5-8(9)11/h8-9H,2-7,11-12H2,1H3,(H,13,15)
InChIKeyHQEQCZCXNVWDGQ-UHFFFAOYSA-N
XLogP0.55
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-aminocyclohexyl)-1-propylurea?
The IUPAC name of 1-amino-3-(2-aminocyclohexyl)-1-propylurea (CID 70965728) is 1-amino-3-(2-aminocyclohexyl)-1-propylurea.
What is the SMILES notation for 1-amino-3-(2-aminocyclohexyl)-1-propylurea?
The canonical SMILES for 1-amino-3-(2-aminocyclohexyl)-1-propylurea is CCCN(N)C(=O)NC1CCCCC1N.
What is the InChIKey of 1-amino-3-(2-aminocyclohexyl)-1-propylurea?
The InChIKey is HQEQCZCXNVWDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-2-7-14(12)10(15)13-9-6-4-3-5-8(9)11/h8-9H,2-7,11-12H2,1H3,(H,13,15).
What are the key properties of 1-amino-3-(2-aminocyclohexyl)-1-propylurea?
1-amino-3-(2-aminocyclohexyl)-1-propylurea has a molecular weight of 214.31 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-aminocyclohexyl)-1-propylurea is sourced from PubChem (CID 70965728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).