tert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate

C14H28N6O3 — CID 103389670

IUPACtert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NC(C)c1nn[nH]n1
InChIInChI=1S/C14H28N6O3/c1-10(12-17-19-20-18-12)16-11(9-22-5)7-6-8-15-13(21)23-14(2,3)4/h10-11,16H,6-9H2,1-5H3,(H,15,21)(H,17,18,19,20)
InChIKeyHQWAXXFKAMKKAH-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.17
Rot. Bonds9

About tert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate

tert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate (PubChem CID 103389670) has the molecular formula C14H28N6O3 and a molecular weight of 328.42 g/mol. Its IUPAC name is tert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate
PubChem CID103389670
Molecular FormulaC14H28N6O3
Molecular Weight328.42 g/mol
Exact Mass328.22
IUPAC Nametert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NC(C)c1nn[nH]n1
InChIInChI=1S/C14H28N6O3/c1-10(12-17-19-20-18-12)16-11(9-22-5)7-6-8-15-13(21)23-14(2,3)4/h10-11,16H,6-9H2,1-5H3,(H,15,21)(H,17,18,19,20)
InChIKeyHQWAXXFKAMKKAH-UHFFFAOYSA-N
XLogP1.17
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(propan-2-ylamino)pentyl]carbamate
CID 103386966
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-[[(1R)-1-(furan-2-yl)ethyl]amino]-5-methoxypentyl]carbamate
CID 103390562
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-[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-[4-[(5-amino-5-oxopentyl)amino]-5-methoxypentyl]carbamate
CID 106234166
tert-butyl N-[5-methoxy-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentyl]carbamate
CID 103387888

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate (CID 103389670) is tert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate is COCC(CCCNC(=O)OC(C)(C)C)NC(C)c1nn[nH]n1.
What is the InChIKey of tert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate?
The InChIKey is HQWAXXFKAMKKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O3/c1-10(12-17-19-20-18-12)16-11(9-22-5)7-6-8-15-13(21)23-14(2,3)4/h10-11,16H,6-9H2,1-5H3,(H,15,21)(H,17,18,19,20).
What are the key properties of tert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate?
tert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate has a molecular weight of 328.42 g/mol, XLogP of 1.17, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate is sourced from PubChem (CID 103389670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).