1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea

C8H20N4O — CID 82404869

IUPAC1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea
SMILESCC(N)CN(CCN(C)C)C(N)=O
InChIInChI=1S/C8H20N4O/c1-7(9)6-12(8(10)13)5-4-11(2)3/h7H,4-6,9H2,1-3H3,(H2,10,13)
InChIKeyZQRXRBQYJMVUJL-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.72
Rot. Bonds5

About 1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea

1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea (PubChem CID 82404869) has the molecular formula C8H20N4O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea.

Molecular Properties

Compound Name1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea
PubChem CID82404869
Molecular FormulaC8H20N4O
Molecular Weight188.27 g/mol
Exact Mass188.16
IUPAC Name1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea
SMILESCC(N)CN(CCN(C)C)C(N)=O
InChIInChI=1S/C8H20N4O/c1-7(9)6-12(8(10)13)5-4-11(2)3/h7H,4-6,9H2,1-3H3,(H2,10,13)
InChIKeyZQRXRBQYJMVUJL-UHFFFAOYSA-N
XLogP-0.72
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid
CID 64896709
(3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide
CID 55009764
1-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 65464903
(2S)-2-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-4-methylsulfanylbutanamide
CID 61163636
2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid
CID 103802734
2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
CID 79805335
tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate
CID 65142781
N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide
CID 79203472
sodium;1,1-diethylurea;hydride
CID 173115035
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61116865
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide
CID 107471656
(4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one
CID 88918874

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea?
The IUPAC name of 1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea (CID 82404869) is 1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea.
What is the SMILES notation for 1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea?
The canonical SMILES for 1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea is CC(N)CN(CCN(C)C)C(N)=O.
What is the InChIKey of 1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea?
The InChIKey is ZQRXRBQYJMVUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O/c1-7(9)6-12(8(10)13)5-4-11(2)3/h7H,4-6,9H2,1-3H3,(H2,10,13).
What are the key properties of 1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea?
1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea has a molecular weight of 188.27 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea is sourced from PubChem (CID 82404869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).