1-[2-(diethylamino)propyl]-3-(5-methylhexan-2-yl)urea

C15H33N3O — CID 112828668

IUPAC1-[2-(diethylamino)propyl]-3-(5-methylhexan-2-yl)urea
SMILESCCN(CC)C(C)CNC(=O)NC(C)CCC(C)C
InChIInChI=1S/C15H33N3O/c1-7-18(8-2)14(6)11-16-15(19)17-13(5)10-9-12(3)4/h12-14H,7-11H2,1-6H3,(H2,16,17,19)
InChIKeyLWQYHQMXYDTPAY-UHFFFAOYSA-N
MW271.45 g/mol
LogP2.84
Rot. Bonds9

About 1-[2-(diethylamino)propyl]-3-(5-methylhexan-2-yl)urea

1-[2-(diethylamino)propyl]-3-(5-methylhexan-2-yl)urea (PubChem CID 112828668) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 1-[2-(diethylamino)propyl]-3-(5-methylhexan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(diethylamino)propyl]-3-(5-methylhexan-2-yl)urea
PubChem CID112828668
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name1-[2-(diethylamino)propyl]-3-(5-methylhexan-2-yl)urea
SMILESCCN(CC)C(C)CNC(=O)NC(C)CCC(C)C
InChIInChI=1S/C15H33N3O/c1-7-18(8-2)14(6)11-16-15(19)17-13(5)10-9-12(3)4/h12-14H,7-11H2,1-6H3,(H2,16,17,19)
InChIKeyLWQYHQMXYDTPAY-UHFFFAOYSA-N
XLogP2.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(diethylamino)propyl]-4-methylpentanamide
CID 86982986
1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea
CID 94702761
N-[2-(diethylamino)propyl]-2-ethylbutanamide
CID 78883396
ethyl 2-[2-(diethylamino)propylamino]-2-oxoacetate
CID 112502188
4-[1-(diethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 81069065
3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 62670098
2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid
CID 79804080
2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 16790600
2-[(4-methylpentan-2-ylcarbamoylamino)methyl]pentanoic acid
CID 65223798
4-[(5-methylhexan-2-ylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440547
1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-[(2S)-5-methylhexan-2-yl]urea
CID 97080784
1-[(2S)-2-(diethylamino)propyl]-3-(2,5-dimethylphenyl)urea
CID 51943970

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)propyl]-3-(5-methylhexan-2-yl)urea?
The IUPAC name of 1-[2-(diethylamino)propyl]-3-(5-methylhexan-2-yl)urea (CID 112828668) is 1-[2-(diethylamino)propyl]-3-(5-methylhexan-2-yl)urea.
What is the SMILES notation for 1-[2-(diethylamino)propyl]-3-(5-methylhexan-2-yl)urea?
The canonical SMILES for 1-[2-(diethylamino)propyl]-3-(5-methylhexan-2-yl)urea is CCN(CC)C(C)CNC(=O)NC(C)CCC(C)C.
What is the InChIKey of 1-[2-(diethylamino)propyl]-3-(5-methylhexan-2-yl)urea?
The InChIKey is LWQYHQMXYDTPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-7-18(8-2)14(6)11-16-15(19)17-13(5)10-9-12(3)4/h12-14H,7-11H2,1-6H3,(H2,16,17,19).
What are the key properties of 1-[2-(diethylamino)propyl]-3-(5-methylhexan-2-yl)urea?
1-[2-(diethylamino)propyl]-3-(5-methylhexan-2-yl)urea has a molecular weight of 271.45 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)propyl]-3-(5-methylhexan-2-yl)urea is sourced from PubChem (CID 112828668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).