3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea

C13H29N3O — CID 116653954

IUPAC3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea
SMILESCCN(CC)CCCC(C)NC(=O)N(C)CC
InChIInChI=1S/C13H29N3O/c1-6-15(5)13(17)14-12(4)10-9-11-16(7-2)8-3/h12H,6-11H2,1-5H3,(H,14,17)
InChIKeyPTTJKXWWSIJITG-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.16
Rot. Bonds8

About 3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea

3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea (PubChem CID 116653954) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea
PubChem CID116653954
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea
SMILESCCN(CC)CCCC(C)NC(=O)N(C)CC
InChIInChI=1S/C13H29N3O/c1-6-15(5)13(17)14-12(4)10-9-11-16(7-2)8-3/h12H,6-11H2,1-5H3,(H,14,17)
InChIKeyPTTJKXWWSIJITG-UHFFFAOYSA-N
XLogP2.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496126
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide
CID 107020634
(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide
CID 61147751
1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea
CID 79159397
(E)-4-[5-(diethylamino)pentan-2-ylamino]-4-oxobut-2-enoic acid
CID 5368003
N-[5-(diethylamino)pentan-2-yl]prop-2-enamide
CID 43616329
methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate
CID 112616629
3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea
CID 79160112
5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide
CID 114014573
(E)-3-[5-(diethylamino)pentan-2-ylamino]prop-2-enoic acid
CID 103233776

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea?
The IUPAC name of 3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea (CID 116653954) is 3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea.
What is the SMILES notation for 3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea?
The canonical SMILES for 3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea is CCN(CC)CCCC(C)NC(=O)N(C)CC.
What is the InChIKey of 3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea?
The InChIKey is PTTJKXWWSIJITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-6-15(5)13(17)14-12(4)10-9-11-16(7-2)8-3/h12H,6-11H2,1-5H3,(H,14,17).
What are the key properties of 3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea?
3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea has a molecular weight of 243.39 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea is sourced from PubChem (CID 116653954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).