[(4-butoxycyclohexyl)amino]carbamic acid

C11H22N2O3 — CID 150311178

IUPAC[(4-butoxycyclohexyl)amino]carbamic acid
SMILESCCCCOC1CCC(NNC(=O)O)CC1
InChIInChI=1S/C11H22N2O3/c1-2-3-8-16-10-6-4-9(5-7-10)12-13-11(14)15/h9-10,12-13H,2-8H2,1H3,(H,14,15)
InChIKeyGLQUDADNSNTKQG-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.89
Rot. Bonds6

About [(4-butoxycyclohexyl)amino]carbamic acid

[(4-butoxycyclohexyl)amino]carbamic acid (PubChem CID 150311178) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is [(4-butoxycyclohexyl)amino]carbamic acid.

Molecular Properties

Compound Name[(4-butoxycyclohexyl)amino]carbamic acid
PubChem CID150311178
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name[(4-butoxycyclohexyl)amino]carbamic acid
SMILESCCCCOC1CCC(NNC(=O)O)CC1
InChIInChI=1S/C11H22N2O3/c1-2-3-8-16-10-6-4-9(5-7-10)12-13-11(14)15/h9-10,12-13H,2-8H2,1H3,(H,14,15)
InChIKeyGLQUDADNSNTKQG-UHFFFAOYSA-N
XLogP1.89
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 [(4-butoxycyclohexyl)amino]carbamic acid?
The IUPAC name of [(4-butoxycyclohexyl)amino]carbamic acid (CID 150311178) is [(4-butoxycyclohexyl)amino]carbamic acid.
What is the SMILES notation for [(4-butoxycyclohexyl)amino]carbamic acid?
The canonical SMILES for [(4-butoxycyclohexyl)amino]carbamic acid is CCCCOC1CCC(NNC(=O)O)CC1.
What is the InChIKey of [(4-butoxycyclohexyl)amino]carbamic acid?
The InChIKey is GLQUDADNSNTKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-2-3-8-16-10-6-4-9(5-7-10)12-13-11(14)15/h9-10,12-13H,2-8H2,1H3,(H,14,15).
What are the key properties of [(4-butoxycyclohexyl)amino]carbamic acid?
[(4-butoxycyclohexyl)amino]carbamic acid has a molecular weight of 230.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-butoxycyclohexyl)amino]carbamic acid is sourced from PubChem (CID 150311178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).