6-(dimethylamino)hexan-3-ylcarbamic acid

C9H20N2O2 — CID 87759870

IUPAC6-(dimethylamino)hexan-3-ylcarbamic acid
SMILESCCC(CCCN(C)C)NC(=O)O
InChIInChI=1S/C9H20N2O2/c1-4-8(10-9(12)13)6-5-7-11(2)3/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyMHVFXTVTJVICGV-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.37
Rot. Bonds6

About 6-(dimethylamino)hexan-3-ylcarbamic acid

6-(dimethylamino)hexan-3-ylcarbamic acid (PubChem CID 87759870) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-(dimethylamino)hexan-3-ylcarbamic acid.

Molecular Properties

Compound Name6-(dimethylamino)hexan-3-ylcarbamic acid
PubChem CID87759870
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name6-(dimethylamino)hexan-3-ylcarbamic acid
SMILESCCC(CCCN(C)C)NC(=O)O
InChIInChI=1S/C9H20N2O2/c1-4-8(10-9(12)13)6-5-7-11(2)3/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyMHVFXTVTJVICGV-UHFFFAOYSA-N
XLogP1.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(dimethylamino)hexan-3-ylcarbamic 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

10-(carboxyamino)decan-3-ylcarbamic acid
CID 175071012
1-[1-(dimethylamino)pentan-3-yl]-3-methylurea
CID 89197362
tetracosan-7-ylcarbamic acid
CID 174971308
[(4S)-1-hydroxyheptan-4-yl]carbamic acid
CID 87839547
2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide
CID 43112397
ethyl 2-amino-5-(dimethylamino)pentanoate
CID 114525469
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799873
2-[3-(dimethylamino)propyl]tetradecanoic acid
CID 174886479
2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 107426068
(2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid
CID 54422723
1-methylsulfanylheptan-3-ylcarbamic acid
CID 155346909
N-[(3S)-6-aminohexan-3-yl]acetamide
CID 143107836

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)hexan-3-ylcarbamic acid?
The IUPAC name of 6-(dimethylamino)hexan-3-ylcarbamic acid (CID 87759870) is 6-(dimethylamino)hexan-3-ylcarbamic acid.
What is the SMILES notation for 6-(dimethylamino)hexan-3-ylcarbamic acid?
The canonical SMILES for 6-(dimethylamino)hexan-3-ylcarbamic acid is CCC(CCCN(C)C)NC(=O)O.
What is the InChIKey of 6-(dimethylamino)hexan-3-ylcarbamic acid?
The InChIKey is MHVFXTVTJVICGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-8(10-9(12)13)6-5-7-11(2)3/h8,10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 6-(dimethylamino)hexan-3-ylcarbamic acid?
6-(dimethylamino)hexan-3-ylcarbamic acid has a molecular weight of 188.27 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)hexan-3-ylcarbamic acid is sourced from PubChem (CID 87759870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).