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

C15H32N2O3 — CID 103386975

IUPACtert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NCC(C)C
InChIInChI=1S/C15H32N2O3/c1-12(2)10-17-13(11-19-6)8-7-9-16-14(18)20-15(3,4)5/h12-13,17H,7-11H2,1-6H3,(H,16,18)
InChIKeyYKIKDAFPZOVFHQ-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.55
Rot. Bonds9

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

tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate (PubChem CID 103386975) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate
PubChem CID103386975
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Nametert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NCC(C)C
InChIInChI=1S/C15H32N2O3/c1-12(2)10-17-13(11-19-6)8-7-9-16-14(18)20-15(3,4)5/h12-13,17H,7-11H2,1-6H3,(H,16,18)
InChIKeyYKIKDAFPZOVFHQ-UHFFFAOYSA-N
XLogP2.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.55
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-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate
CID 103390094
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-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 103387404
tert-butyl N-[4-(3,3-dimethylbutan-2-ylamino)-5-methoxypentyl]carbamate
CID 103390924
tert-butyl N-[4-(2-cyanoethylamino)-5-methoxypentyl]carbamate
CID 103387651
tert-butyl N-[4-[(5-amino-5-oxopentyl)amino]-5-methoxypentyl]carbamate
CID 106234166
tert-butyl N-[4-(2-butoxyethylamino)-5-methoxypentyl]carbamate
CID 103389448
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-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate (CID 103386975) is tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate is COCC(CCCNC(=O)OC(C)(C)C)NCC(C)C.
What is the InChIKey of tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate?
The InChIKey is YKIKDAFPZOVFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-12(2)10-17-13(11-19-6)8-7-9-16-14(18)20-15(3,4)5/h12-13,17H,7-11H2,1-6H3,(H,16,18).
What are the key properties of tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate?
tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate has a molecular weight of 288.43 g/mol, XLogP of 2.55, 9 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-(2-methylpropylamino)pentyl]carbamate is sourced from PubChem (CID 103386975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).