tert-butyl N-[4-(propylamino)butyl]carbamate

C12H26N2O2 — CID 86071285

IUPACtert-butyl N-[4-(propylamino)butyl]carbamate
SMILESCCCNCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-5-8-13-9-6-7-10-14-11(15)16-12(2,3)4/h13H,5-10H2,1-4H3,(H,14,15)
InChIKeyOQQUULQVOXUSIB-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.29
Rot. Bonds7

About tert-butyl N-[4-(propylamino)butyl]carbamate

tert-butyl N-[4-(propylamino)butyl]carbamate (PubChem CID 86071285) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is tert-butyl N-[4-(propylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(propylamino)butyl]carbamate
PubChem CID86071285
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nametert-butyl N-[4-(propylamino)butyl]carbamate
SMILESCCCNCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-5-8-13-9-6-7-10-14-11(15)16-12(2,3)4/h13H,5-10H2,1-4H3,(H,14,15)
InChIKeyOQQUULQVOXUSIB-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[3-(decylamino)propyl]carbamate
CID 103821957
tert-butyl N-[2-(propylamino)ethyl]carbamate
CID 14925149
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[2-(octadecylamino)ethyl]carbamate
CID 168851346
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-[3-[3-(butanoylamino)propylamino]propyl]carbamate
CID 163381103
tert-butyl N-[4-(hexylamino)butyl]carbamate;2,2,2-trifluoroacetaldehyde
CID 160758432
tert-butyl N-butylcarbamate;methane
CID 153346289
CID 58849446
CID 58849446
tert-butyl N-[2-[2-(pentylamino)ethoxy]ethyl]carbamate
CID 167579388

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(propylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-(propylamino)butyl]carbamate (CID 86071285) is tert-butyl N-[4-(propylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(propylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(propylamino)butyl]carbamate is CCCNCCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(propylamino)butyl]carbamate?
The InChIKey is OQQUULQVOXUSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-8-13-9-6-7-10-14-11(15)16-12(2,3)4/h13H,5-10H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[4-(propylamino)butyl]carbamate?
tert-butyl N-[4-(propylamino)butyl]carbamate has a molecular weight of 230.35 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(propylamino)butyl]carbamate is sourced from PubChem (CID 86071285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).