1-[2-[butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea

C11H23N3O — CID 71934037

IUPAC1-[2-[butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea
SMILESCCC(C)N(C)CCNC(=O)NC1CC1
InChIInChI=1S/C11H23N3O/c1-4-9(2)14(3)8-7-12-11(15)13-10-5-6-10/h9-10H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyKMKHIDHYZBQNGC-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.18
Rot. Bonds6

About 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea

1-[2-[butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea (PubChem CID 71934037) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[2-[butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea
PubChem CID71934037
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-[2-[butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea
SMILESCCC(C)N(C)CCNC(=O)NC1CC1
InChIInChI=1S/C11H23N3O/c1-4-9(2)14(3)8-7-12-11(15)13-10-5-6-10/h9-10H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyKMKHIDHYZBQNGC-UHFFFAOYSA-N
XLogP1.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclopropylimidazolidin-2-one
CID 53936882
3-(dimethylamino)-N-ethylpyrrolidine-1-carboxamide
CID 68378697
1,3,3-Trimethyl-1-(pyrrolidin-3-yl)urea
CID 79154183
1-[2-(Piperazin-1-yl)ethyl]-3-(propan-2-yl)urea
CID 43600356
N-(propan-2-yl)piperazine-1-carboxamide hydrochloride
CID 17811303
1,1-Diisopropyl-3-methylurea
CID 12829062
N-Isopropylpiperazine-1-carboxamide
CID 16740267
3-methyl-N-(propan-2-yl)piperazine-1-carboxamide
CID 53933480
DI-Sec-butylurea
CID 13365
N,N,N'-Tripropan-2-ylurea
CID 12829063
1-[2-(Diethylamino)ethyl]-3-methylurea
CID 58988200
3-[2-(Dimethylamino)ethyl]-1,1-diethylurea
CID 46834516

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea?
The IUPAC name of 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea (CID 71934037) is 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea?
The canonical SMILES for 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea is CCC(C)N(C)CCNC(=O)NC1CC1.
What is the InChIKey of 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea?
The InChIKey is KMKHIDHYZBQNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-9(2)14(3)8-7-12-11(15)13-10-5-6-10/h9-10H,4-8H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea?
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea has a molecular weight of 213.32 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea is sourced from PubChem (CID 71934037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).