1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea

C11H23N3O — CID 105408997

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C11H23N3O/c1-9(2)13-10(15)12-8-11(14(3)4)6-5-7-11/h9H,5-8H2,1-4H3,(H2,12,13,15)
InChIKeyFHTDQJMMDKGXBB-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.18
Rot. Bonds4

About 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea

1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea (PubChem CID 105408997) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
PubChem CID105408997
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C11H23N3O/c1-9(2)13-10(15)12-8-11(14(3)4)6-5-7-11/h9H,5-8H2,1-4H3,(H2,12,13,15)
InChIKeyFHTDQJMMDKGXBB-UHFFFAOYSA-N
XLogP1.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

(2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid
CID 107567774
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methoxypropanamide
CID 105420622
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanedioic acid
CID 105419575
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pent-4-ynoic acid
CID 105419566
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide
CID 103516127
4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499360
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide
CID 105417065
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid
CID 105419510
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
CID 107034071
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
CID 61248624
(2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 105419519
2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83114452

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea (CID 105408997) is 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea is CC(C)NC(=O)NCC1(N(C)C)CCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea?
The InChIKey is FHTDQJMMDKGXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(2)13-10(15)12-8-11(14(3)4)6-5-7-11/h9H,5-8H2,1-4H3,(H2,12,13,15).
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea?
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea has a molecular weight of 213.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 105408997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).