2-aminohexylurea

C7H17N3O — CID 171485886

IUPAC2-aminohexylurea
SMILESCCCCC(N)CNC(N)=O
InChIInChI=1S/C7H17N3O/c1-2-3-4-6(8)5-10-7(9)11/h6H,2-5,8H2,1H3,(H3,9,10,11)
InChIKeyQJVQEUMADZQXCZ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.17
Rot. Bonds5

About 2-aminohexylurea

2-aminohexylurea (PubChem CID 171485886) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-aminohexylurea.

Molecular Properties

Compound Name2-aminohexylurea
PubChem CID171485886
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name2-aminohexylurea
SMILESCCCCC(N)CNC(N)=O
InChIInChI=1S/C7H17N3O/c1-2-3-4-6(8)5-10-7(9)11/h6H,2-5,8H2,1H3,(H3,9,10,11)
InChIKeyQJVQEUMADZQXCZ-UHFFFAOYSA-N
XLogP0.17
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminopentyl)pentanamide
CID 115737691
N-(2-amino-4-hydroxybutyl)dodecanamide
CID 54436170
(2S)-1-N-methylhexane-1,2-diamine
CID 89357717
[3-(butylamino)-2,4-diethyloctyl]urea
CID 22381316
N-[(2R)-2,5-diaminopentyl]acetamide
CID 137385208
2-(2-aminohexylamino)ethanol
CID 83960481
2-(2,2-diethoxyethyl)nonylurea
CID 151957297
icosane-5,10,16-triamine
CID 88870264
(2S)-1-N-propyldecane-1,2-diamine
CID 135223941
3-aminoundecanamide
CID 154005326
N-(2-aminopentyl)-2-ethylbutanamide
CID 115737781
2-amino-N-hexylhexanamide
CID 60852762

Frequently Asked Questions

What is the IUPAC name of 2-aminohexylurea?
The IUPAC name of 2-aminohexylurea (CID 171485886) is 2-aminohexylurea.
What is the SMILES notation for 2-aminohexylurea?
The canonical SMILES for 2-aminohexylurea is CCCCC(N)CNC(N)=O.
What is the InChIKey of 2-aminohexylurea?
The InChIKey is QJVQEUMADZQXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-2-3-4-6(8)5-10-7(9)11/h6H,2-5,8H2,1H3,(H3,9,10,11).
What are the key properties of 2-aminohexylurea?
2-aminohexylurea has a molecular weight of 159.23 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminohexylurea is sourced from PubChem (CID 171485886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).