1-[3-(2-hydroxypropylamino)propyl]-1,3-diazinan-2-one

C10H21N3O2 — CID 18340100

IUPAC1-[3-(2-hydroxypropylamino)propyl]-1,3-diazinan-2-one
SMILESCC(O)CNCCCN1CCCNC1=O
InChIInChI=1S/C10H21N3O2/c1-9(14)8-11-4-2-6-13-7-3-5-12-10(13)15/h9,11,14H,2-8H2,1H3,(H,12,15)
InChIKeyMIGDHQGPOYFEFL-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.24
Rot. Bonds6

About 1-[3-(2-hydroxypropylamino)propyl]-1,3-diazinan-2-one

1-[3-(2-hydroxypropylamino)propyl]-1,3-diazinan-2-one (PubChem CID 18340100) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[3-(2-hydroxypropylamino)propyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[3-(2-hydroxypropylamino)propyl]-1,3-diazinan-2-one
PubChem CID18340100
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name1-[3-(2-hydroxypropylamino)propyl]-1,3-diazinan-2-one
SMILESCC(O)CNCCCN1CCCNC1=O
InChIInChI=1S/C10H21N3O2/c1-9(14)8-11-4-2-6-13-7-3-5-12-10(13)15/h9,11,14H,2-8H2,1H3,(H,12,15)
InChIKeyMIGDHQGPOYFEFL-UHFFFAOYSA-N
XLogP-0.24
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydro-5-hydroxy-1H-pyrimidin-2-one
CID 74616
1-(2-Hydroxyethyl)-1,3-diazinan-2-one
CID 55288148
N-(2-hydroxyethyl)piperidine-1-carboxamide
CID 57489402
5-Hydroxy-1-methyl-1,3-diazinan-2-one
CID 83694228
3-Cyclopropyl-1-(2-hydroxypropyl)-1-isopropylurea
CID 56790977
N-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 6457939
1-(2-Hydroxypropyl)-3-n-butylurea
CID 22381453
4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 75374952
1,3-Bis(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
CID 20255443
N,2,6-trimethylmorpholine-4-carboxamide
CID 294176
Urea, N,N'-bis(2-hydroxypropyl)-
CID 11229093
3-(3,3-Difluoro-2-hydroxypropyl)-1,1-diethylurea
CID 103836921

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxypropylamino)propyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[3-(2-hydroxypropylamino)propyl]-1,3-diazinan-2-one (CID 18340100) is 1-[3-(2-hydroxypropylamino)propyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[3-(2-hydroxypropylamino)propyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[3-(2-hydroxypropylamino)propyl]-1,3-diazinan-2-one is CC(O)CNCCCN1CCCNC1=O.
What is the InChIKey of 1-[3-(2-hydroxypropylamino)propyl]-1,3-diazinan-2-one?
The InChIKey is MIGDHQGPOYFEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-9(14)8-11-4-2-6-13-7-3-5-12-10(13)15/h9,11,14H,2-8H2,1H3,(H,12,15).
What are the key properties of 1-[3-(2-hydroxypropylamino)propyl]-1,3-diazinan-2-one?
1-[3-(2-hydroxypropylamino)propyl]-1,3-diazinan-2-one has a molecular weight of 215.30 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxypropylamino)propyl]-1,3-diazinan-2-one is sourced from PubChem (CID 18340100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).