1-[1-(dimethylamino)pentan-3-yl]-3-methylurea

C9H21N3O — CID 89197362

IUPAC1-[1-(dimethylamino)pentan-3-yl]-3-methylurea
SMILESCCC(CCN(C)C)NC(=O)NC
InChIInChI=1S/C9H21N3O/c1-5-8(6-7-12(3)4)11-9(13)10-2/h8H,5-7H2,1-4H3,(H2,10,11,13)
InChIKeyQAQSWNDEBAQHFE-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.65
Rot. Bonds5

About 1-[1-(dimethylamino)pentan-3-yl]-3-methylurea

1-[1-(dimethylamino)pentan-3-yl]-3-methylurea (PubChem CID 89197362) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-[1-(dimethylamino)pentan-3-yl]-3-methylurea.

Molecular Properties

Compound Name1-[1-(dimethylamino)pentan-3-yl]-3-methylurea
PubChem CID89197362
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name1-[1-(dimethylamino)pentan-3-yl]-3-methylurea
SMILESCCC(CCN(C)C)NC(=O)NC
InChIInChI=1S/C9H21N3O/c1-5-8(6-7-12(3)4)11-9(13)10-2/h8H,5-7H2,1-4H3,(H2,10,11,13)
InChIKeyQAQSWNDEBAQHFE-UHFFFAOYSA-N
XLogP0.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)pentan-3-yl]-3-methylurea?
The IUPAC name of 1-[1-(dimethylamino)pentan-3-yl]-3-methylurea (CID 89197362) is 1-[1-(dimethylamino)pentan-3-yl]-3-methylurea.
What is the SMILES notation for 1-[1-(dimethylamino)pentan-3-yl]-3-methylurea?
The canonical SMILES for 1-[1-(dimethylamino)pentan-3-yl]-3-methylurea is CCC(CCN(C)C)NC(=O)NC.
What is the InChIKey of 1-[1-(dimethylamino)pentan-3-yl]-3-methylurea?
The InChIKey is QAQSWNDEBAQHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-5-8(6-7-12(3)4)11-9(13)10-2/h8H,5-7H2,1-4H3,(H2,10,11,13).
What are the key properties of 1-[1-(dimethylamino)pentan-3-yl]-3-methylurea?
1-[1-(dimethylamino)pentan-3-yl]-3-methylurea has a molecular weight of 187.29 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)pentan-3-yl]-3-methylurea is sourced from PubChem (CID 89197362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).