methyl-[3-(methylamino)propyl]carbamic acid

C6H14N2O2 — CID 18404327

IUPACmethyl-[3-(methylamino)propyl]carbamic acid
SMILESCNCCCN(C)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-7-4-3-5-8(2)6(9)10/h7H,3-5H2,1-2H3,(H,9,10)
InChIKeyGULWWFQXMLHHFK-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.21
Rot. Bonds4

About methyl-[3-(methylamino)propyl]carbamic acid

methyl-[3-(methylamino)propyl]carbamic acid (PubChem CID 18404327) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is methyl-[3-(methylamino)propyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[3-(methylamino)propyl]carbamic acid
PubChem CID18404327
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Namemethyl-[3-(methylamino)propyl]carbamic acid
SMILESCNCCCN(C)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-7-4-3-5-8(2)6(9)10/h7H,3-5H2,1-2H3,(H,9,10)
InChIKeyGULWWFQXMLHHFK-UHFFFAOYSA-N
XLogP0.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[3-(methylamino)propyl]acetamide
CID 23084468
methyl-[2-(methylamino)ethyl]carbamic acid;2-methylpropane
CID 161126143
3-(3-hydroxypropylamino)propyl-methylcarbamic acid
CID 174166438
methyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate
CID 112617466
2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide
CID 103514245
5-hydroxypentyl(methyl)carbamic acid
CID 90197062
2-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104570155
tert-butyl-[3-(methylamino)propyl]carbamic acid
CID 118379406
3-iodopropyl(methyl)carbamic acid
CID 21077788
4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114391195
(2R)-4-hydroxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]butanoic acid
CID 107828444
(2S,3R)-3-hydroxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]butanoic acid
CID 104966438

Frequently Asked Questions

What is the IUPAC name of methyl-[3-(methylamino)propyl]carbamic acid?
The IUPAC name of methyl-[3-(methylamino)propyl]carbamic acid (CID 18404327) is methyl-[3-(methylamino)propyl]carbamic acid.
What is the SMILES notation for methyl-[3-(methylamino)propyl]carbamic acid?
The canonical SMILES for methyl-[3-(methylamino)propyl]carbamic acid is CNCCCN(C)C(=O)O.
What is the InChIKey of methyl-[3-(methylamino)propyl]carbamic acid?
The InChIKey is GULWWFQXMLHHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-7-4-3-5-8(2)6(9)10/h7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of methyl-[3-(methylamino)propyl]carbamic acid?
methyl-[3-(methylamino)propyl]carbamic acid has a molecular weight of 146.19 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(methylamino)propyl]carbamic acid is sourced from PubChem (CID 18404327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).