1-ethyl-1,3-dimethyl-3-pentan-3-ylurea

C10H22N2O — CID 116654334

IUPAC1-ethyl-1,3-dimethyl-3-pentan-3-ylurea
SMILESCCC(CC)N(C)C(=O)N(C)CC
InChIInChI=1S/C10H22N2O/c1-6-9(7-2)12(5)10(13)11(4)8-3/h9H,6-8H2,1-5H3
InChIKeyJKHWAGVTXDMSIL-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.18
Rot. Bonds4

About 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea

1-ethyl-1,3-dimethyl-3-pentan-3-ylurea (PubChem CID 116654334) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea.

Molecular Properties

Compound Name1-ethyl-1,3-dimethyl-3-pentan-3-ylurea
PubChem CID116654334
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-ethyl-1,3-dimethyl-3-pentan-3-ylurea
SMILESCCC(CC)N(C)C(=O)N(C)CC
InChIInChI=1S/C10H22N2O/c1-6-9(7-2)12(5)10(13)11(4)8-3/h9H,6-8H2,1-5H3
InChIKeyJKHWAGVTXDMSIL-UHFFFAOYSA-N
XLogP2.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclohexyl-1,3,3-trimethylurea
CID 59165080
Urea, N,N-bis(1-methylpropyl)-
CID 12836295
N-cyclohexyl-N,N',N'-triethylurea
CID 2985663
Urea, N,N-dibutyl-N',N'-diethyl-
CID 12221467
N,N,N',N'-Tetrapropan-2-ylurea
CID 12820359
1,1,3-Trimethyl-3-propan-2-ylurea
CID 19962444
1,1-Dimethyl-3,3-di(propan-2-yl)urea
CID 20351751
N,N'-Dibutyl-N,N'-dimethylurea
CID 546287
(4S,6S)-1,3,4,6-tetramethyl-1,3-diazinan-2-one
CID 12965079
1-[3-(Dimethylamino)propyl]-1,3,3-trimethylurea
CID 115904156
1-Butyl-1,3,3-triethylurea
CID 4563591
Urea, N,N-diethyl-N',N'-dipropyl-
CID 5151697

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea?
The IUPAC name of 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea (CID 116654334) is 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea.
What is the SMILES notation for 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea?
The canonical SMILES for 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea is CCC(CC)N(C)C(=O)N(C)CC.
What is the InChIKey of 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea?
The InChIKey is JKHWAGVTXDMSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-6-9(7-2)12(5)10(13)11(4)8-3/h9H,6-8H2,1-5H3.
What are the key properties of 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea?
1-ethyl-1,3-dimethyl-3-pentan-3-ylurea has a molecular weight of 186.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea is sourced from PubChem (CID 116654334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).