molecular hydrogen;propan-2-yl N-[3-[ethyl(propyl)amino]propyl]carbamate

C12H28N2O2 — CID 154661279

IUPACmolecular hydrogen;propan-2-yl N-[3-[ethyl(propyl)amino]propyl]carbamate
SMILESCCCN(CC)CCCNC(=O)OC(C)C.[H][H]
InChIInChI=1S/C12H26N2O2.H2/c1-5-9-14(6-2)10-7-8-13-12(15)16-11(3)4;/h11H,5-10H2,1-4H3,(H,13,15);1H
InChIKeyLQTVBZZDCUUFPD-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.49
Rot. Bonds8

About molecular hydrogen;propan-2-yl N-[3-[ethyl(propyl)amino]propyl]carbamate

molecular hydrogen;propan-2-yl N-[3-[ethyl(propyl)amino]propyl]carbamate (PubChem CID 154661279) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is molecular hydrogen;propan-2-yl N-[3-[ethyl(propyl)amino]propyl]carbamate.

Molecular Properties

Compound Namemolecular hydrogen;propan-2-yl N-[3-[ethyl(propyl)amino]propyl]carbamate
PubChem CID154661279
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Namemolecular hydrogen;propan-2-yl N-[3-[ethyl(propyl)amino]propyl]carbamate
SMILESCCCN(CC)CCCNC(=O)OC(C)C.[H][H]
InChIInChI=1S/C12H26N2O2.H2/c1-5-9-14(6-2)10-7-8-13-12(15)16-11(3)4;/h11H,5-10H2,1-4H3,(H,13,15);1H
InChIKeyLQTVBZZDCUUFPD-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N-[2-(diethylamino)ethyl]carbamate
CID 116653752
propan-2-yl N-(3-ethoxypropyl)carbamate
CID 116653800
propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate
CID 116653876
propan-2-yl N-(5-methylheptyl)carbamate
CID 129015381
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
propan-2-yl N-(3-methylsulfonylpropyl)carbamate
CID 116655205
ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate
CID 3412732
tert-butyl N-[3-[3-aminopropyl(propyl)amino]propyl]carbamate
CID 170082175
propan-2-yl N-[[nitroso(propyl)amino]methyl]carbamate
CID 12511033
6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate
CID 155481140
propan-2-yl N-(2-chloroethyl)carbamate
CID 15649892
N'-ethyl-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62421595

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;propan-2-yl N-[3-[ethyl(propyl)amino]propyl]carbamate?
The IUPAC name of molecular hydrogen;propan-2-yl N-[3-[ethyl(propyl)amino]propyl]carbamate (CID 154661279) is molecular hydrogen;propan-2-yl N-[3-[ethyl(propyl)amino]propyl]carbamate.
What is the SMILES notation for molecular hydrogen;propan-2-yl N-[3-[ethyl(propyl)amino]propyl]carbamate?
The canonical SMILES for molecular hydrogen;propan-2-yl N-[3-[ethyl(propyl)amino]propyl]carbamate is CCCN(CC)CCCNC(=O)OC(C)C.[H][H].
What is the InChIKey of molecular hydrogen;propan-2-yl N-[3-[ethyl(propyl)amino]propyl]carbamate?
The InChIKey is LQTVBZZDCUUFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2.H2/c1-5-9-14(6-2)10-7-8-13-12(15)16-11(3)4;/h11H,5-10H2,1-4H3,(H,13,15);1H.
What are the key properties of molecular hydrogen;propan-2-yl N-[3-[ethyl(propyl)amino]propyl]carbamate?
molecular hydrogen;propan-2-yl N-[3-[ethyl(propyl)amino]propyl]carbamate has a molecular weight of 232.37 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;propan-2-yl N-[3-[ethyl(propyl)amino]propyl]carbamate is sourced from PubChem (CID 154661279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).