[1-(dimethylamino)-4-methylpentan-2-yl]urea

C9H21N3O — CID 61059405

IUPAC[1-(dimethylamino)-4-methylpentan-2-yl]urea
SMILESCC(C)CC(CN(C)C)NC(N)=O
InChIInChI=1S/C9H21N3O/c1-7(2)5-8(6-12(3)4)11-9(10)13/h7-8H,5-6H2,1-4H3,(H3,10,11,13)
InChIKeyMCPDYIFMMHSUQF-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.63
Rot. Bonds5

About [1-(dimethylamino)-4-methylpentan-2-yl]urea

[1-(dimethylamino)-4-methylpentan-2-yl]urea (PubChem CID 61059405) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is [1-(dimethylamino)-4-methylpentan-2-yl]urea.

Molecular Properties

Compound Name[1-(dimethylamino)-4-methylpentan-2-yl]urea
PubChem CID61059405
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name[1-(dimethylamino)-4-methylpentan-2-yl]urea
SMILESCC(C)CC(CN(C)C)NC(N)=O
InChIInChI=1S/C9H21N3O/c1-7(2)5-8(6-12(3)4)11-9(10)13/h7-8H,5-6H2,1-4H3,(H3,10,11,13)
InChIKeyMCPDYIFMMHSUQF-UHFFFAOYSA-N
XLogP0.63
TPSA58.36 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 ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride
CID 120503128
3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 43695730
1-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1-carboxamide
CID 54924699
3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 107980196
6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide
CID 65290404
1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 55769941
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-propylguanidine
CID 62361802
N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4,4-dimethylhexanamide
CID 65290403
1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 86811911
N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide
CID 62181781

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-4-methylpentan-2-yl]urea?
The IUPAC name of [1-(dimethylamino)-4-methylpentan-2-yl]urea (CID 61059405) is [1-(dimethylamino)-4-methylpentan-2-yl]urea.
What is the SMILES notation for [1-(dimethylamino)-4-methylpentan-2-yl]urea?
The canonical SMILES for [1-(dimethylamino)-4-methylpentan-2-yl]urea is CC(C)CC(CN(C)C)NC(N)=O.
What is the InChIKey of [1-(dimethylamino)-4-methylpentan-2-yl]urea?
The InChIKey is MCPDYIFMMHSUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-7(2)5-8(6-12(3)4)11-9(10)13/h7-8H,5-6H2,1-4H3,(H3,10,11,13).
What are the key properties of [1-(dimethylamino)-4-methylpentan-2-yl]urea?
[1-(dimethylamino)-4-methylpentan-2-yl]urea has a molecular weight of 187.29 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-4-methylpentan-2-yl]urea is sourced from PubChem (CID 61059405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).