3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea

C7H17N3O — CID 79160112

IUPAC3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NC(C)CN
InChIInChI=1S/C7H17N3O/c1-4-10(3)7(11)9-6(2)5-8/h6H,4-5,8H2,1-3H3,(H,9,11)
InChIKeyDVANFZPFJXSCIH-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.01
Rot. Bonds3

About 3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea

3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea (PubChem CID 79160112) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea
PubChem CID79160112
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NC(C)CN
InChIInChI=1S/C7H17N3O/c1-4-10(3)7(11)9-6(2)5-8/h6H,4-5,8H2,1-3H3,(H,9,11)
InChIKeyDVANFZPFJXSCIH-UHFFFAOYSA-N
XLogP-0.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea
CID 79159397
3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea
CID 116653954
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
CID 61194675
(2R)-2-amino-N-[(2R)-1-aminopropan-2-yl]butanamide
CID 131206927
3-amino-1-ethyl-1-methylurea
CID 43263702
3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea
CID 82507336
1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea
CID 79159484
N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide
CID 130636581
3-(4-aminobutan-2-yl)-1,1-dimethylurea
CID 79154286
1-ethyl-1-methyl-3-(2-methylpropoxy)urea
CID 115752940
3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea
CID 79160138
2-amino-N-[(2R)-1-aminopropan-2-yl]propanamide
CID 130611964

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea (CID 79160112) is 3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea is CCN(C)C(=O)NC(C)CN.
What is the InChIKey of 3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea?
The InChIKey is DVANFZPFJXSCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-4-10(3)7(11)9-6(2)5-8/h6H,4-5,8H2,1-3H3,(H,9,11).
What are the key properties of 3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea?
3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea has a molecular weight of 159.23 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea is sourced from PubChem (CID 79160112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).