1-[2-(dimethylamino)ethyl]-3-ethylurea

C7H17N3O — CID 2381868

IUPAC1-[2-(dimethylamino)ethyl]-3-ethylurea
SMILESCCNC(=O)NCCN(C)C
InChIInChI=1S/C7H17N3O/c1-4-8-7(11)9-5-6-10(2)3/h4-6H2,1-3H3,(H2,8,9,11)
InChIKeyKVZNSCWDFPBNTD-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.13
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-3-ethylurea

1-[2-(dimethylamino)ethyl]-3-ethylurea (PubChem CID 2381868) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-ethylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-ethylurea
PubChem CID2381868
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name1-[2-(dimethylamino)ethyl]-3-ethylurea
SMILESCCNC(=O)NCCN(C)C
InChIInChI=1S/C7H17N3O/c1-4-8-7(11)9-5-6-10(2)3/h4-6H2,1-3H3,(H2,8,9,11)
InChIKeyKVZNSCWDFPBNTD-UHFFFAOYSA-N
XLogP-0.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

sym-Diethylurea
CID 12194
N,N-dimethylpiperazine-1-carboxamide hydrochloride
CID 16192652
n,n-Dimethylpiperazine-1-carboxamide
CID 712909
Urea, 1,1,3-triethyl-
CID 29376
N-Ethyl-N'-methylurea
CID 206567
N-methylpiperazine-1-carboxamide
CID 11672770
1-Methylimidazolidin-2-one
CID 567600
n-Ethyl-4-methylpiperazine-1-carboxamide
CID 116045
N,N-Diethyl-N'-methylurea
CID 135031
Urea, 1,1-dimethyl-3-ethyl-
CID 210410
N,N-Diethylpiperazine-1-carboxamide
CID 67067
1-Ethyl-1,3-dimethylurea
CID 18954292

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-ethylurea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-ethylurea (CID 2381868) is 1-[2-(dimethylamino)ethyl]-3-ethylurea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-ethylurea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-ethylurea is CCNC(=O)NCCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-ethylurea?
The InChIKey is KVZNSCWDFPBNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-4-8-7(11)9-5-6-10(2)3/h4-6H2,1-3H3,(H2,8,9,11).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-ethylurea?
1-[2-(dimethylamino)ethyl]-3-ethylurea has a molecular weight of 159.23 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-ethylurea is sourced from PubChem (CID 2381868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).