tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate

C15H32N2O2 — CID 107242003

IUPACtert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate
SMILESCCCCCCNCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-6-7-8-9-11-16-12-10-13-17(5)14(18)19-15(2,3)4/h16H,6-13H2,1-5H3
InChIKeyOBMDNTQALYORQI-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.41
Rot. Bonds9

About tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate

tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate (PubChem CID 107242003) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate
PubChem CID107242003
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Nametert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate
SMILESCCCCCCNCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-6-7-8-9-11-16-12-10-13-17(5)14(18)19-15(2,3)4/h16H,6-13H2,1-5H3
InChIKeyOBMDNTQALYORQI-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.41
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-methyl-N-[2-(propylamino)ethyl]carbamate
CID 89066320
tert-butyl N-[4-[3-[ethenyl(methyl)amino]propylamino]butyl]-N-methylcarbamate
CID 170112382
tert-butyl N-[2-(octylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245800
tert-butyl N-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]propyl]-N-methylcarbamate
CID 134513496
tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate
CID 103781231
tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
CID 86663469
2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]butanoic acid
CID 107242134
tert-butyl N-[2-(octadecylamino)ethyl]carbamate
CID 168851346
tert-butyl N-[3-(decylamino)propyl]carbamate
CID 103821957
tert-butyl N-methyl-N-[4-(propan-2-ylamino)butyl]carbamate
CID 58244816
tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate
CID 102672051
tert-butyl N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-N-methylcarbamate
CID 111096126

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate (CID 107242003) is tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate is CCCCCCNCCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate?
The InChIKey is OBMDNTQALYORQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-6-7-8-9-11-16-12-10-13-17(5)14(18)19-15(2,3)4/h16H,6-13H2,1-5H3.
What are the key properties of tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate?
tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate has a molecular weight of 272.43 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate is sourced from PubChem (CID 107242003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).