3-(dimethylamino)pentyl N-butylcarbamate;dihydrochloride

C12H28Cl2N2O2 — CID 160545777

IUPAC3-(dimethylamino)pentyl N-butylcarbamate;dihydrochloride
SMILESCCCCNC(=O)OCCC(CC)N(C)C.Cl.Cl
InChIInChI=1S/C12H26N2O2.2ClH/c1-5-7-9-13-12(15)16-10-8-11(6-2)14(3)4;;/h11H,5-10H2,1-4H3,(H,13,15);2*1H
InChIKeyVZVQYEWOKXOINS-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.09
Rot. Bonds8

About 3-(dimethylamino)pentyl N-butylcarbamate;dihydrochloride

3-(dimethylamino)pentyl N-butylcarbamate;dihydrochloride (PubChem CID 160545777) has the molecular formula C12H28Cl2N2O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is 3-(dimethylamino)pentyl N-butylcarbamate;dihydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)pentyl N-butylcarbamate;dihydrochloride
PubChem CID160545777
Molecular FormulaC12H28Cl2N2O2
Molecular Weight303.27 g/mol
Exact Mass302.15
IUPAC Name3-(dimethylamino)pentyl N-butylcarbamate;dihydrochloride
SMILESCCCCNC(=O)OCCC(CC)N(C)C.Cl.Cl
InChIInChI=1S/C12H26N2O2.2ClH/c1-5-7-9-13-12(15)16-10-8-11(6-2)14(3)4;;/h11H,5-10H2,1-4H3,(H,13,15);2*1H
InChIKeyVZVQYEWOKXOINS-UHFFFAOYSA-N
XLogP3.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(dimethylamino)pentyl N-butylcarbamate;dihydrochloride 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

butyl N-butylcarbamate;molecular hydrogen
CID 142164887
2-(propylamino)ethyl N-butylcarbamate
CID 79338122
2-trimethylsilylethyl N-butylcarbamate
CID 102394632
methyl N-[2-[bis[2-(butylcarbamoyloxy)ethyl]amino]ethyl]carbamate;hydrochloride
CID 88513482
hexyl N-tetradecylcarbamate
CID 91739120
undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate
CID 58912391
aminomethyl N-butylcarbamate
CID 139491046
azane;octyl N-octylcarbamate
CID 175531380

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)pentyl N-butylcarbamate;dihydrochloride?
The IUPAC name of 3-(dimethylamino)pentyl N-butylcarbamate;dihydrochloride (CID 160545777) is 3-(dimethylamino)pentyl N-butylcarbamate;dihydrochloride.
What is the SMILES notation for 3-(dimethylamino)pentyl N-butylcarbamate;dihydrochloride?
The canonical SMILES for 3-(dimethylamino)pentyl N-butylcarbamate;dihydrochloride is CCCCNC(=O)OCCC(CC)N(C)C.Cl.Cl.
What is the InChIKey of 3-(dimethylamino)pentyl N-butylcarbamate;dihydrochloride?
The InChIKey is VZVQYEWOKXOINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2.2ClH/c1-5-7-9-13-12(15)16-10-8-11(6-2)14(3)4;;/h11H,5-10H2,1-4H3,(H,13,15);2*1H.
What are the key properties of 3-(dimethylamino)pentyl N-butylcarbamate;dihydrochloride?
3-(dimethylamino)pentyl N-butylcarbamate;dihydrochloride has a molecular weight of 303.27 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)pentyl N-butylcarbamate;dihydrochloride is sourced from PubChem (CID 160545777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).