4-(dimethylamino)pentyl-methylcarbamic acid

C9H20N2O2 — CID 23983768

IUPAC4-(dimethylamino)pentyl-methylcarbamic acid
SMILESCC(CCCN(C)C(=O)O)N(C)C
InChIInChI=1S/C9H20N2O2/c1-8(10(2)3)6-5-7-11(4)9(12)13/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyDSRFZZKRFIRGIX-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.33
Rot. Bonds5

About 4-(dimethylamino)pentyl-methylcarbamic acid

4-(dimethylamino)pentyl-methylcarbamic acid (PubChem CID 23983768) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-(dimethylamino)pentyl-methylcarbamic acid.

Molecular Properties

Compound Name4-(dimethylamino)pentyl-methylcarbamic acid
PubChem CID23983768
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name4-(dimethylamino)pentyl-methylcarbamic acid
SMILESCC(CCCN(C)C(=O)O)N(C)C
InChIInChI=1S/C9H20N2O2/c1-8(10(2)3)6-5-7-11(4)9(12)13/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyDSRFZZKRFIRGIX-UHFFFAOYSA-N
XLogP1.33
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(dimethylamino)pentyl-methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexadecyl(methyl)carbamic acid
CID 15173799
4-diethoxysilylhexyl(methyl)carbamic acid
CID 173191134
3-iodopropyl(methyl)carbamic acid
CID 21077788
(4R)-4-(dimethylamino)pentanoic acid
CID 92669584
4-(dimethylamino)pentanoic acid
CID 18442969
3-hydroxyheptyl(methyl)carbamic acid
CID 87975843
5-hydroxypentyl(methyl)carbamic acid
CID 90197062
5-[carboxy(methyl)amino]pentanoic acid
CID 89340824
methyl-[3-(methylamino)propyl]carbamic acid
CID 18404327
N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
CID 115163571
3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid)
CID 171932253

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)pentyl-methylcarbamic acid?
The IUPAC name of 4-(dimethylamino)pentyl-methylcarbamic acid (CID 23983768) is 4-(dimethylamino)pentyl-methylcarbamic acid.
What is the SMILES notation for 4-(dimethylamino)pentyl-methylcarbamic acid?
The canonical SMILES for 4-(dimethylamino)pentyl-methylcarbamic acid is CC(CCCN(C)C(=O)O)N(C)C.
What is the InChIKey of 4-(dimethylamino)pentyl-methylcarbamic acid?
The InChIKey is DSRFZZKRFIRGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(10(2)3)6-5-7-11(4)9(12)13/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 4-(dimethylamino)pentyl-methylcarbamic acid?
4-(dimethylamino)pentyl-methylcarbamic acid has a molecular weight of 188.27 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)pentyl-methylcarbamic acid is sourced from PubChem (CID 23983768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).