1-(2-aminoethyl)-3-ethyl-3-methyl-1-propylurea

C9H21N3O — CID 79159621

IUPAC1-(2-aminoethyl)-3-ethyl-3-methyl-1-propylurea
SMILESCCCN(CCN)C(=O)N(C)CC
InChIInChI=1S/C9H21N3O/c1-4-7-12(8-6-10)9(13)11(3)5-2/h4-8,10H2,1-3H3
InChIKeyCVMJJMMPSOCQQP-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.73
Rot. Bonds5

About 1-(2-aminoethyl)-3-ethyl-3-methyl-1-propylurea

1-(2-aminoethyl)-3-ethyl-3-methyl-1-propylurea (PubChem CID 79159621) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-ethyl-3-methyl-1-propylurea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-ethyl-3-methyl-1-propylurea
PubChem CID79159621
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name1-(2-aminoethyl)-3-ethyl-3-methyl-1-propylurea
SMILESCCCN(CCN)C(=O)N(C)CC
InChIInChI=1S/C9H21N3O/c1-4-7-12(8-6-10)9(13)11(3)5-2/h4-8,10H2,1-3H3
InChIKeyCVMJJMMPSOCQQP-UHFFFAOYSA-N
XLogP0.73
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[dipropylcarbamoyl(methyl)amino]propanoic acid
CID 61183046
N-(2-aminoethyl)-2-ethyl-N-propylbutanamide
CID 61349350
N-(2-aminoethyl)-N-ethylacetamide
CID 23084474
N-(2-aminoethyl)-2-methylidene-N-propylpentanamide
CID 19764256
2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid
CID 61425586
N-(2-aminoethyl)-2-methoxy-2-methyl-N-propylpropanamide
CID 103017411
1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
CID 62698156
1-(3-amino-3-hydroxyiminopropyl)-1,3-diethyl-3-methylurea
CID 79162393
N-(2-aminoethyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide
CID 107000169
2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid
CID 107435153
N-(3-aminopropyl)-2-methyl-N-propylpropanamide
CID 43136612
4-amino-N,N-dipropylbutanamide
CID 12835718

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-ethyl-3-methyl-1-propylurea?
The IUPAC name of 1-(2-aminoethyl)-3-ethyl-3-methyl-1-propylurea (CID 79159621) is 1-(2-aminoethyl)-3-ethyl-3-methyl-1-propylurea.
What is the SMILES notation for 1-(2-aminoethyl)-3-ethyl-3-methyl-1-propylurea?
The canonical SMILES for 1-(2-aminoethyl)-3-ethyl-3-methyl-1-propylurea is CCCN(CCN)C(=O)N(C)CC.
What is the InChIKey of 1-(2-aminoethyl)-3-ethyl-3-methyl-1-propylurea?
The InChIKey is CVMJJMMPSOCQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-4-7-12(8-6-10)9(13)11(3)5-2/h4-8,10H2,1-3H3.
What are the key properties of 1-(2-aminoethyl)-3-ethyl-3-methyl-1-propylurea?
1-(2-aminoethyl)-3-ethyl-3-methyl-1-propylurea has a molecular weight of 187.29 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-ethyl-3-methyl-1-propylurea is sourced from PubChem (CID 79159621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).