1-(4-aminocyclohexyl)-1,3-dipropylurea

C13H27N3O — CID 79111587

IUPAC1-(4-aminocyclohexyl)-1,3-dipropylurea
SMILESCCCNC(=O)N(CCC)C1CCC(N)CC1
InChIInChI=1S/C13H27N3O/c1-3-9-15-13(17)16(10-4-2)12-7-5-11(14)6-8-12/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyHQOYWSFXRRGBHH-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.09
Rot. Bonds5

About 1-(4-aminocyclohexyl)-1,3-dipropylurea

1-(4-aminocyclohexyl)-1,3-dipropylurea (PubChem CID 79111587) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-1,3-dipropylurea.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-1,3-dipropylurea
PubChem CID79111587
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-(4-aminocyclohexyl)-1,3-dipropylurea
SMILESCCCNC(=O)N(CCC)C1CCC(N)CC1
InChIInChI=1S/C13H27N3O/c1-3-9-15-13(17)16(10-4-2)12-7-5-11(14)6-8-12/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyHQOYWSFXRRGBHH-UHFFFAOYSA-N
XLogP2.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide
CID 79112238
2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
CID 60828450
ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate
CID 43445694
N-(4-aminocyclohexyl)-N-propylcyclobutanecarboxamide
CID 79111722
N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide
CID 79112531
N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide
CID 79112456
N-(4-aminocyclohexyl)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 79112448
N-(4-aminocyclohexyl)-2-cyclopentyl-N-propylacetamide
CID 79111500
3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66167992
N-(4-aminocyclohexyl)-2-methoxy-2-methyl-N-propylpropanamide
CID 103021566
N-(4-aminocyclohexyl)-4-methyl-N-propylpiperidine-1-carboxamide
CID 79162762
1-cyclohexyl-1-cyclopropyl-3-propylurea
CID 110874883

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-1,3-dipropylurea?
The IUPAC name of 1-(4-aminocyclohexyl)-1,3-dipropylurea (CID 79111587) is 1-(4-aminocyclohexyl)-1,3-dipropylurea.
What is the SMILES notation for 1-(4-aminocyclohexyl)-1,3-dipropylurea?
The canonical SMILES for 1-(4-aminocyclohexyl)-1,3-dipropylurea is CCCNC(=O)N(CCC)C1CCC(N)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-1,3-dipropylurea?
The InChIKey is HQOYWSFXRRGBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-9-15-13(17)16(10-4-2)12-7-5-11(14)6-8-12/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 1-(4-aminocyclohexyl)-1,3-dipropylurea?
1-(4-aminocyclohexyl)-1,3-dipropylurea has a molecular weight of 241.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-1,3-dipropylurea is sourced from PubChem (CID 79111587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).