1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea

C7H17N3O2 — CID 19885771

IUPAC1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea
SMILESCN(C)CCCNC(=O)NCO
InChIInChI=1S/C7H17N3O2/c1-10(2)5-3-4-8-7(12)9-6-11/h11H,3-6H2,1-2H3,(H2,8,9,12)
InChIKeyXYKAXHPNKOPHSP-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.81
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea

1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea (PubChem CID 19885771) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea
PubChem CID19885771
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea
SMILESCN(C)CCCNC(=O)NCO
InChIInChI=1S/C7H17N3O2/c1-10(2)5-3-4-8-7(12)9-6-11/h11H,3-6H2,1-2H3,(H2,8,9,12)
InChIKeyXYKAXHPNKOPHSP-UHFFFAOYSA-N
XLogP-0.81
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-(dimethylamino)propyl]-3-pentylurea
CID 108988347
1-[3-(dimethylamino)propyl]-3-ethylurea;hydrate
CID 175591595
1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea
CID 58817776
1-[3-(dimethylamino)propyl]-3-prop-2-ynylurea
CID 129322553
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
(2S)-2-[3-(dimethylamino)propylcarbamoylamino]-3-hydroxypropanoic acid
CID 61190739
(2R)-2-[3-(dimethylamino)propylcarbamoylamino]-3-hydroxypropanoic acid
CID 80757649
2-[[3-(dimethylamino)propylcarbamoylamino]methyl]-2-ethylbutanoic acid
CID 113308722
N-[3-(dimethylamino)propyl]prop-2-ynamide
CID 126549211
N'-[3-(dimethylamino)propyl]-N-ethyloxamide
CID 45000040
N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
CID 103600605
(2S)-2-[4-(dimethylamino)butylcarbamoylamino]propanoic acid
CID 78979186

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea (CID 19885771) is 1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea is CN(C)CCCNC(=O)NCO.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea?
The InChIKey is XYKAXHPNKOPHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-10(2)5-3-4-8-7(12)9-6-11/h11H,3-6H2,1-2H3,(H2,8,9,12).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea?
1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea has a molecular weight of 175.23 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea is sourced from PubChem (CID 19885771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).