1,3-bis[1-(dimethylamino)propyl]urea;dihydrochloride

C11H28Cl2N4O — CID 23325980

IUPAC1,3-bis[1-(dimethylamino)propyl]urea;dihydrochloride
SMILESCCC(NC(=O)NC(CC)N(C)C)N(C)C.Cl.Cl
InChIInChI=1S/C11H26N4O.2ClH/c1-7-9(14(3)4)12-11(16)13-10(8-2)15(5)6;;/h9-10H,7-8H2,1-6H3,(H2,12,13,16);2*1H
InChIKeySFTCFZNMZLOFKY-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.72
Rot. Bonds6

About 1,3-bis[1-(dimethylamino)propyl]urea;dihydrochloride

1,3-bis[1-(dimethylamino)propyl]urea;dihydrochloride (PubChem CID 23325980) has the molecular formula C11H28Cl2N4O and a molecular weight of 303.28 g/mol. Its IUPAC name is 1,3-bis[1-(dimethylamino)propyl]urea;dihydrochloride.

Molecular Properties

Compound Name1,3-bis[1-(dimethylamino)propyl]urea;dihydrochloride
PubChem CID23325980
Molecular FormulaC11H28Cl2N4O
Molecular Weight303.28 g/mol
Exact Mass302.16
IUPAC Name1,3-bis[1-(dimethylamino)propyl]urea;dihydrochloride
SMILESCCC(NC(=O)NC(CC)N(C)C)N(C)C.Cl.Cl
InChIInChI=1S/C11H26N4O.2ClH/c1-7-9(14(3)4)12-11(16)13-10(8-2)15(5)6;;/h9-10H,7-8H2,1-6H3,(H2,12,13,16);2*1H
InChIKeySFTCFZNMZLOFKY-UHFFFAOYSA-N
XLogP1.72
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

S-ethyl N-[1-(dimethylamino)propyl]carbamothioate
CID 23619587
azane;N-[1-(dimethylamino)propyl]octadecanamide
CID 175326640
N-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 23169646
(2S)-2,6-diamino-N-[1-(dimethylamino)propyl]hexanamide
CID 54422986
1-[1-(dimethylamino)pentan-3-yl]-3-methylurea
CID 89197362
N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;propane-1-sulfonic acid
CID 174106634
1-(1-hydroxybutan-2-yl)-3-methylurea
CID 115279269
(2S)-2-(dimethylamino)butanehydrazide
CID 30403559
1-N',1-N'-dimethyl-1-N-propylpropane-1,1-diamine
CID 87287552
1-butan-2-yl-1,3-dimethylurea
CID 87182460
methyl 2-(dimethylamino)butanoate
CID 14644900
(2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid
CID 80750743

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[1-(dimethylamino)propyl]urea;dihydrochloride?
The IUPAC name of 1,3-bis[1-(dimethylamino)propyl]urea;dihydrochloride (CID 23325980) is 1,3-bis[1-(dimethylamino)propyl]urea;dihydrochloride.
What is the SMILES notation for 1,3-bis[1-(dimethylamino)propyl]urea;dihydrochloride?
The canonical SMILES for 1,3-bis[1-(dimethylamino)propyl]urea;dihydrochloride is CCC(NC(=O)NC(CC)N(C)C)N(C)C.Cl.Cl.
What is the InChIKey of 1,3-bis[1-(dimethylamino)propyl]urea;dihydrochloride?
The InChIKey is SFTCFZNMZLOFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O.2ClH/c1-7-9(14(3)4)12-11(16)13-10(8-2)15(5)6;;/h9-10H,7-8H2,1-6H3,(H2,12,13,16);2*1H.
What are the key properties of 1,3-bis[1-(dimethylamino)propyl]urea;dihydrochloride?
1,3-bis[1-(dimethylamino)propyl]urea;dihydrochloride has a molecular weight of 303.28 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[1-(dimethylamino)propyl]urea;dihydrochloride is sourced from PubChem (CID 23325980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).