1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea

C12H25N3O — CID 103752966

IUPAC1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea
SMILESCC(CNC(=O)NC(C)(C)C)N(C)C1CC1
InChIInChI=1S/C12H25N3O/c1-9(15(5)10-6-7-10)8-13-11(16)14-12(2,3)4/h9-10H,6-8H2,1-5H3,(H2,13,14,16)
InChIKeyKDRVSNMAHONRJX-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.57
Rot. Bonds4

About 1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea

1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea (PubChem CID 103752966) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea
PubChem CID103752966
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea
SMILESCC(CNC(=O)NC(C)(C)C)N(C)C1CC1
InChIInChI=1S/C12H25N3O/c1-9(15(5)10-6-7-10)8-13-11(16)14-12(2,3)4/h9-10H,6-8H2,1-5H3,(H2,13,14,16)
InChIKeyKDRVSNMAHONRJX-UHFFFAOYSA-N
XLogP1.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea
CID 111338463
1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea
CID 111104304
4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]pentanamide
CID 106813359
1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea
CID 97186218
1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63298478
2-amino-N-[2-[2-[cyclopropyl(methyl)amino]propylamino]-2-oxoethyl]acetamide
CID 104872590
N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxypentanamide
CID 103895673
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]cyclopentane-1-carboxamide
CID 113269315
4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]butanamide;dihydrochloride
CID 119875597
1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide
CID 103814425
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681
cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114132555

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea?
The IUPAC name of 1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea (CID 103752966) is 1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea?
The canonical SMILES for 1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea is CC(CNC(=O)NC(C)(C)C)N(C)C1CC1.
What is the InChIKey of 1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea?
The InChIKey is KDRVSNMAHONRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(15(5)10-6-7-10)8-13-11(16)14-12(2,3)4/h9-10H,6-8H2,1-5H3,(H2,13,14,16).
What are the key properties of 1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea?
1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea has a molecular weight of 227.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea is sourced from PubChem (CID 103752966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).