6-[cyclohexyl(3-morpholin-4-ylpropyl)amino]hexylcarbamic acid

C20H39N3O3 — CID 67127697

IUPAC6-[cyclohexyl(3-morpholin-4-ylpropyl)amino]hexylcarbamic acid
SMILESO=C(O)NCCCCCCN(CCCN1CCOCC1)C1CCCCC1
InChIInChI=1S/C20H39N3O3/c24-20(25)21-11-6-1-2-7-13-23(19-9-4-3-5-10-19)14-8-12-22-15-17-26-18-16-22/h19,21H,1-18H2,(H,24,25)
InChIKeyXUFUTYAZFRHXOD-UHFFFAOYSA-N
MW369.55 g/mol
LogP3.17
Rot. Bonds12

About 6-[cyclohexyl(3-morpholin-4-ylpropyl)amino]hexylcarbamic acid

6-[cyclohexyl(3-morpholin-4-ylpropyl)amino]hexylcarbamic acid (PubChem CID 67127697) has the molecular formula C20H39N3O3 and a molecular weight of 369.55 g/mol. Its IUPAC name is 6-[cyclohexyl(3-morpholin-4-ylpropyl)amino]hexylcarbamic acid.

Molecular Properties

Compound Name6-[cyclohexyl(3-morpholin-4-ylpropyl)amino]hexylcarbamic acid
PubChem CID67127697
Molecular FormulaC20H39N3O3
Molecular Weight369.55 g/mol
Exact Mass369.30
IUPAC Name6-[cyclohexyl(3-morpholin-4-ylpropyl)amino]hexylcarbamic acid
SMILESO=C(O)NCCCCCCN(CCCN1CCOCC1)C1CCCCC1
InChIInChI=1S/C20H39N3O3/c24-20(25)21-11-6-1-2-7-13-23(19-9-4-3-5-10-19)14-8-12-22-15-17-26-18-16-22/h19,21H,1-18H2,(H,24,25)
InChIKeyXUFUTYAZFRHXOD-UHFFFAOYSA-N
XLogP3.17
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine
CID 70872933
3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea
CID 87236961
6-[[1-(3-morpholin-4-ylpropyl)cyclohexyl]sulfonylamino]hexylcarbamic acid
CID 70872711
N,N-dicyclohexyl-5-morpholin-4-ylpentanamide
CID 67746963
N'-cyclohexyl-N'-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 55242012
3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid
CID 82330480
(2R)-N-(4-morpholin-4-ylbutyl)piperidine-2-carboxamide
CID 119852461
6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid
CID 61194288
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
2-[cyclopropyl(2-morpholin-4-ylethyl)amino]acetic acid
CID 60834823
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(3-morpholin-4-ylpropyl)amino]hexylcarbamic acid?
The IUPAC name of 6-[cyclohexyl(3-morpholin-4-ylpropyl)amino]hexylcarbamic acid (CID 67127697) is 6-[cyclohexyl(3-morpholin-4-ylpropyl)amino]hexylcarbamic acid.
What is the SMILES notation for 6-[cyclohexyl(3-morpholin-4-ylpropyl)amino]hexylcarbamic acid?
The canonical SMILES for 6-[cyclohexyl(3-morpholin-4-ylpropyl)amino]hexylcarbamic acid is O=C(O)NCCCCCCN(CCCN1CCOCC1)C1CCCCC1.
What is the InChIKey of 6-[cyclohexyl(3-morpholin-4-ylpropyl)amino]hexylcarbamic acid?
The InChIKey is XUFUTYAZFRHXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O3/c24-20(25)21-11-6-1-2-7-13-23(19-9-4-3-5-10-19)14-8-12-22-15-17-26-18-16-22/h19,21H,1-18H2,(H,24,25).
What are the key properties of 6-[cyclohexyl(3-morpholin-4-ylpropyl)amino]hexylcarbamic acid?
6-[cyclohexyl(3-morpholin-4-ylpropyl)amino]hexylcarbamic acid has a molecular weight of 369.55 g/mol, XLogP of 3.17, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(3-morpholin-4-ylpropyl)amino]hexylcarbamic acid is sourced from PubChem (CID 67127697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).