2-[(3-aminocyclohexyl)amino]ethyl carbamate

C9H19N3O2 — CID 83202906

IUPAC2-[(3-aminocyclohexyl)amino]ethyl carbamate
SMILESNC(=O)OCCNC1CCCC(N)C1
InChIInChI=1S/C9H19N3O2/c10-7-2-1-3-8(6-7)12-4-5-14-9(11)13/h7-8,12H,1-6,10H2,(H2,11,13)
InChIKeyLCEAWRJMCCJSKL-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.06
Rot. Bonds4

About 2-[(3-aminocyclohexyl)amino]ethyl carbamate

2-[(3-aminocyclohexyl)amino]ethyl carbamate (PubChem CID 83202906) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(3-aminocyclohexyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-aminocyclohexyl)amino]ethyl carbamate
PubChem CID83202906
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[(3-aminocyclohexyl)amino]ethyl carbamate
SMILESNC(=O)OCCNC1CCCC(N)C1
InChIInChI=1S/C9H19N3O2/c10-7-2-1-3-8(6-7)12-4-5-14-9(11)13/h7-8,12H,1-6,10H2,(H2,11,13)
InChIKeyLCEAWRJMCCJSKL-UHFFFAOYSA-N
XLogP-0.06
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-[(3-aminocyclohexyl)amino]ethyl carbamate?
The IUPAC name of 2-[(3-aminocyclohexyl)amino]ethyl carbamate (CID 83202906) is 2-[(3-aminocyclohexyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(3-aminocyclohexyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(3-aminocyclohexyl)amino]ethyl carbamate is NC(=O)OCCNC1CCCC(N)C1.
What is the InChIKey of 2-[(3-aminocyclohexyl)amino]ethyl carbamate?
The InChIKey is LCEAWRJMCCJSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-7-2-1-3-8(6-7)12-4-5-14-9(11)13/h7-8,12H,1-6,10H2,(H2,11,13).
What are the key properties of 2-[(3-aminocyclohexyl)amino]ethyl carbamate?
2-[(3-aminocyclohexyl)amino]ethyl carbamate has a molecular weight of 201.27 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclohexyl)amino]ethyl carbamate is sourced from PubChem (CID 83202906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).