butan-2-yl N-[4-(dimethylamino)butyl]carbamate

C11H24N2O2 — CID 20721719

IUPACbutan-2-yl N-[4-(dimethylamino)butyl]carbamate
SMILESCCC(C)OC(=O)NCCCCN(C)C
InChIInChI=1S/C11H24N2O2/c1-5-10(2)15-11(14)12-8-6-7-9-13(3)4/h10H,5-9H2,1-4H3,(H,12,14)
InChIKeyMCFDRMKUTNWURW-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.85
Rot. Bonds7

About butan-2-yl N-[4-(dimethylamino)butyl]carbamate

butan-2-yl N-[4-(dimethylamino)butyl]carbamate (PubChem CID 20721719) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is butan-2-yl N-[4-(dimethylamino)butyl]carbamate.

Molecular Properties

Compound Namebutan-2-yl N-[4-(dimethylamino)butyl]carbamate
PubChem CID20721719
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Namebutan-2-yl N-[4-(dimethylamino)butyl]carbamate
SMILESCCC(C)OC(=O)NCCCCN(C)C
InChIInChI=1S/C11H24N2O2/c1-5-10(2)15-11(14)12-8-6-7-9-13(3)4/h10H,5-9H2,1-4H3,(H,12,14)
InChIKeyMCFDRMKUTNWURW-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.85
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

N,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid
CID 173269465
2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate
CID 79348724
2-propoxyethyl 8-[1-[bis[3-(dimethylamino)propyl]amino]propan-2-yloxycarbonylamino]octanoate
CID 160861355
6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate
CID 155481140
1-(methylamino)propan-2-yl N-butylcarbamate
CID 79338018
propan-2-yl N-(5-methylheptyl)carbamate
CID 129015381
butan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen
CID 154661368
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377
(2S)-2-[4-(dimethylamino)butylcarbamoylamino]propanoic acid
CID 78979186
ethyl 3-[4-(dimethylamino)butylamino]-3-oxopropanoate
CID 110465406
[(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate
CID 134419359
[2,3-bis[4-(dimethylamino)butylcarbamoyloxy]-4-[(Z)-hexadec-9-enoyl]oxybutyl] (Z)-hexadec-9-enoate
CID 176951923

Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-[4-(dimethylamino)butyl]carbamate?
The IUPAC name of butan-2-yl N-[4-(dimethylamino)butyl]carbamate (CID 20721719) is butan-2-yl N-[4-(dimethylamino)butyl]carbamate.
What is the SMILES notation for butan-2-yl N-[4-(dimethylamino)butyl]carbamate?
The canonical SMILES for butan-2-yl N-[4-(dimethylamino)butyl]carbamate is CCC(C)OC(=O)NCCCCN(C)C.
What is the InChIKey of butan-2-yl N-[4-(dimethylamino)butyl]carbamate?
The InChIKey is MCFDRMKUTNWURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-10(2)15-11(14)12-8-6-7-9-13(3)4/h10H,5-9H2,1-4H3,(H,12,14).
What are the key properties of butan-2-yl N-[4-(dimethylamino)butyl]carbamate?
butan-2-yl N-[4-(dimethylamino)butyl]carbamate has a molecular weight of 216.32 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-[4-(dimethylamino)butyl]carbamate is sourced from PubChem (CID 20721719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).