tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate

C17H36N2O3 — CID 103390094

IUPACtert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NCC(C)C(C)C
InChIInChI=1S/C17H36N2O3/c1-13(2)14(3)11-19-15(12-21-7)9-8-10-18-16(20)22-17(4,5)6/h13-15,19H,8-12H2,1-7H3,(H,18,20)
InChIKeyAARHBUMFMGTOFK-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.19
Rot. Bonds10

About tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate

tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate (PubChem CID 103390094) has the molecular formula C17H36N2O3 and a molecular weight of 316.49 g/mol. Its IUPAC name is tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate
PubChem CID103390094
Molecular FormulaC17H36N2O3
Molecular Weight316.49 g/mol
Exact Mass316.27
IUPAC Nametert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NCC(C)C(C)C
InChIInChI=1S/C17H36N2O3/c1-13(2)14(3)11-19-15(12-21-7)9-8-10-18-16(20)22-17(4,5)6/h13-15,19H,8-12H2,1-7H3,(H,18,20)
InChIKeyAARHBUMFMGTOFK-UHFFFAOYSA-N
XLogP3.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate
CID 103386975
tert-butyl N-[4-(3,3-dimethylbutan-2-ylamino)-5-methoxypentyl]carbamate
CID 103390924
tert-butyl N-[4-[(2-hydroxy-2-methylpropyl)amino]-5-methoxypentyl]carbamate
CID 103390147
tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate
CID 103386966
tert-butyl N-[5-methoxy-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentyl]carbamate
CID 103387888
tert-butyl N-[4-(2-cyanoethylamino)-5-methoxypentyl]carbamate
CID 103387651
tert-butyl N-[4-(2-butoxyethylamino)-5-methoxypentyl]carbamate
CID 103389448
tert-butyl N-[4-[(5-amino-5-oxopentyl)amino]-5-methoxypentyl]carbamate
CID 106234166
tert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate
CID 103390318
tert-butyl N-[5-methoxy-4-(pent-4-ynylamino)pentyl]carbamate
CID 106220539
tert-butyl N-[5-methoxy-4-[[(E)-pent-3-enyl]amino]pentyl]carbamate
CID 103390947
tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate
CID 103387806

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate (CID 103390094) is tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate is COCC(CCCNC(=O)OC(C)(C)C)NCC(C)C(C)C.
What is the InChIKey of tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate?
The InChIKey is AARHBUMFMGTOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O3/c1-13(2)14(3)11-19-15(12-21-7)9-8-10-18-16(20)22-17(4,5)6/h13-15,19H,8-12H2,1-7H3,(H,18,20).
What are the key properties of tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate?
tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate has a molecular weight of 316.49 g/mol, XLogP of 3.19, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate is sourced from PubChem (CID 103390094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).