tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate

C14H30N2O3 — CID 103386966

IUPACtert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NC(C)C
InChIInChI=1S/C14H30N2O3/c1-11(2)16-12(10-18-6)8-7-9-15-13(17)19-14(3,4)5/h11-12,16H,7-10H2,1-6H3,(H,15,17)
InChIKeyMJRCSGWWOPEXMP-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.30
Rot. Bonds8

About tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate

tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate (PubChem CID 103386966) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate
PubChem CID103386966
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Nametert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NC(C)C
InChIInChI=1S/C14H30N2O3/c1-11(2)16-12(10-18-6)8-7-9-15-13(17)19-14(3,4)5/h11-12,16H,7-10H2,1-6H3,(H,15,17)
InChIKeyMJRCSGWWOPEXMP-UHFFFAOYSA-N
XLogP2.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.30
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-[4-(3,3-dimethylbutan-2-ylamino)-5-methoxypentyl]carbamate
CID 103390924
tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 103387404
tert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate
CID 103390318
tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate
CID 103386975
tert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate
CID 103391054
tert-butyl N-[5-methoxy-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentyl]carbamate
CID 103387888
tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate
CID 103390094
tert-butyl N-[4-(hex-5-yn-3-ylamino)-5-methoxypentyl]carbamate
CID 103390984
tert-butyl N-[4-[(2-hydroxy-2-methylpropyl)amino]-5-methoxypentyl]carbamate
CID 103390147
tert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate
CID 103389670
tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate
CID 103387806
tert-butyl N-[4-[[(1R)-1-(furan-2-yl)ethyl]amino]-5-methoxypentyl]carbamate
CID 103390562

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate (CID 103386966) is tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate is COCC(CCCNC(=O)OC(C)(C)C)NC(C)C.
What is the InChIKey of tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate?
The InChIKey is MJRCSGWWOPEXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-11(2)16-12(10-18-6)8-7-9-15-13(17)19-14(3,4)5/h11-12,16H,7-10H2,1-6H3,(H,15,17).
What are the key properties of tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate?
tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate has a molecular weight of 274.40 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate is sourced from PubChem (CID 103386966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).