1-methyl-3-[3-(methylamino)-2,2-bis(methylaminomethyl)propyl]urea

C10H25N5O — CID 22381440

IUPAC1-methyl-3-[3-(methylamino)-2,2-bis(methylaminomethyl)propyl]urea
SMILESCNCC(CNC)(CNC)CNC(=O)NC
InChIInChI=1S/C10H25N5O/c1-11-5-10(6-12-2,7-13-3)8-15-9(16)14-4/h11-13H,5-8H2,1-4H3,(H2,14,15,16)
InChIKeyOBSSGMYPDMNMRD-UHFFFAOYSA-N
MW231.34 g/mol
LogP-1.44
Rot. Bonds8

About 1-methyl-3-[3-(methylamino)-2,2-bis(methylaminomethyl)propyl]urea

1-methyl-3-[3-(methylamino)-2,2-bis(methylaminomethyl)propyl]urea (PubChem CID 22381440) has the molecular formula C10H25N5O and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-methyl-3-[3-(methylamino)-2,2-bis(methylaminomethyl)propyl]urea.

Molecular Properties

Compound Name1-methyl-3-[3-(methylamino)-2,2-bis(methylaminomethyl)propyl]urea
PubChem CID22381440
Molecular FormulaC10H25N5O
Molecular Weight231.34 g/mol
Exact Mass231.21
IUPAC Name1-methyl-3-[3-(methylamino)-2,2-bis(methylaminomethyl)propyl]urea
SMILESCNCC(CNC)(CNC)CNC(=O)NC
InChIInChI=1S/C10H25N5O/c1-11-5-10(6-12-2,7-13-3)8-15-9(16)14-4/h11-13H,5-8H2,1-4H3,(H2,14,15,16)
InChIKeyOBSSGMYPDMNMRD-UHFFFAOYSA-N
XLogP-1.44
TPSA77.22 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 5-1.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-2-methylpropyl)-3-methylurea
CID 115660964
1-methyl-3-[2-(methylamino)ethyl]urea
CID 22381232
1-methyl-3-(2-methyl-2-phenylpropyl)urea
CID 47166668
3-hydroxy-3-methyl-4-(methylcarbamoylamino)butanoic acid
CID 66003379
1,3-dimethylurea
CID 7293
1,3-dimethylurea
CID 163366790
2-(methylamino)-N-[2-(methylcarbamoylamino)ethyl]acetamide
CID 146415919
1-[(cyanoamino)methyl]-3-methylurea
CID 146416356
carbanide;1-ethyl-3-methylurea;yttrium(3+)
CID 21019715
1-methyl-3-(methylsulfonylmethyl)urea
CID 168786695
2,2-difluoro-N-methyl-3-(methylamino)propanamide
CID 14093529
2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine
CID 59289836

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(methylamino)-2,2-bis(methylaminomethyl)propyl]urea?
The IUPAC name of 1-methyl-3-[3-(methylamino)-2,2-bis(methylaminomethyl)propyl]urea (CID 22381440) is 1-methyl-3-[3-(methylamino)-2,2-bis(methylaminomethyl)propyl]urea.
What is the SMILES notation for 1-methyl-3-[3-(methylamino)-2,2-bis(methylaminomethyl)propyl]urea?
The canonical SMILES for 1-methyl-3-[3-(methylamino)-2,2-bis(methylaminomethyl)propyl]urea is CNCC(CNC)(CNC)CNC(=O)NC.
What is the InChIKey of 1-methyl-3-[3-(methylamino)-2,2-bis(methylaminomethyl)propyl]urea?
The InChIKey is OBSSGMYPDMNMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N5O/c1-11-5-10(6-12-2,7-13-3)8-15-9(16)14-4/h11-13H,5-8H2,1-4H3,(H2,14,15,16).
What are the key properties of 1-methyl-3-[3-(methylamino)-2,2-bis(methylaminomethyl)propyl]urea?
1-methyl-3-[3-(methylamino)-2,2-bis(methylaminomethyl)propyl]urea has a molecular weight of 231.34 g/mol, XLogP of -1.44, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(methylamino)-2,2-bis(methylaminomethyl)propyl]urea is sourced from PubChem (CID 22381440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).