tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate

C14H30N2O2 — CID 122608338

IUPACtert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate
SMILESCCCN(CCCCCNC)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-6-11-16(12-9-7-8-10-15-5)13(17)18-14(2,3)4/h15H,6-12H2,1-5H3
InChIKeyLVQAJGJQRPLRGP-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.02
Rot. Bonds8

About tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate

tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate (PubChem CID 122608338) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate
PubChem CID122608338
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nametert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate
SMILESCCCN(CCCCCNC)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-6-11-16(12-9-7-8-10-15-5)13(17)18-14(2,3)4/h15H,6-12H2,1-5H3
InChIKeyLVQAJGJQRPLRGP-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-aminopropyl)-N-[4-(methylamino)butyl]carbamate
CID 134854632
tert-butyl N,N-dipentylcarbamate
CID 65142743
tert-butyl N,N-bis[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamate
CID 11800012
tert-butyl N-(5-oxoheptyl)-N-propylcarbamate
CID 89128098
tert-butyl N-(4-amino-4-oxobutyl)-N-[2-(methylamino)ethyl]carbamate
CID 129168100
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-[(6R)-6-chlorooctyl]-N-propylcarbamate
CID 129405651
tert-butyl N-(4-hydroxybutyl)-N-[8-[4-hydroxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octyl]carbamate
CID 18920510
tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate
CID 103846720
tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate
CID 57299810
tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate
CID 145297430
tert-butyl N-(3-aminopropyl)-N-[6-[(2-methylpropan-2-yl)oxycarbonyl-[8-[(2-methylpropan-2-yl)oxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]octyl]amino]hexyl]carbamate
CID 11803452

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate (CID 122608338) is tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate is CCCN(CCCCCNC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate?
The InChIKey is LVQAJGJQRPLRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-6-11-16(12-9-7-8-10-15-5)13(17)18-14(2,3)4/h15H,6-12H2,1-5H3.
What are the key properties of tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate?
tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate has a molecular weight of 258.41 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate is sourced from PubChem (CID 122608338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).