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

C16H34N2O3 — CID 103387017

IUPACtert-butyl N-[5-methoxy-4-(pentylamino)pentyl]carbamate
SMILESCCCCCNC(CCCNC(=O)OC(C)(C)C)COC
InChIInChI=1S/C16H34N2O3/c1-6-7-8-11-17-14(13-20-5)10-9-12-18-15(19)21-16(2,3)4/h14,17H,6-13H2,1-5H3,(H,18,19)
InChIKeyYEWBEJFDJSLRMU-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.09
Rot. Bonds11

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

tert-butyl N-[5-methoxy-4-(pentylamino)pentyl]carbamate (PubChem CID 103387017) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is tert-butyl N-[5-methoxy-4-(pentylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-methoxy-4-(pentylamino)pentyl]carbamate
PubChem CID103387017
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Nametert-butyl N-[5-methoxy-4-(pentylamino)pentyl]carbamate
SMILESCCCCCNC(CCCNC(=O)OC(C)(C)C)COC
InChIInChI=1S/C16H34N2O3/c1-6-7-8-11-17-14(13-20-5)10-9-12-18-15(19)21-16(2,3)4/h14,17H,6-13H2,1-5H3,(H,18,19)
InChIKeyYEWBEJFDJSLRMU-UHFFFAOYSA-N
XLogP3.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.09
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-methoxy-4-(pentylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-methoxy-4-(pentylamino)pentyl]carbamate (CID 103387017) is tert-butyl N-[5-methoxy-4-(pentylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-methoxy-4-(pentylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-methoxy-4-(pentylamino)pentyl]carbamate is CCCCCNC(CCCNC(=O)OC(C)(C)C)COC.
What is the InChIKey of tert-butyl N-[5-methoxy-4-(pentylamino)pentyl]carbamate?
The InChIKey is YEWBEJFDJSLRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-6-7-8-11-17-14(13-20-5)10-9-12-18-15(19)21-16(2,3)4/h14,17H,6-13H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[5-methoxy-4-(pentylamino)pentyl]carbamate?
tert-butyl N-[5-methoxy-4-(pentylamino)pentyl]carbamate has a molecular weight of 302.46 g/mol, XLogP of 3.09, 11 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-(pentylamino)pentyl]carbamate is sourced from PubChem (CID 103387017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).