tert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate

C16H32N2O2 — CID 107243932

IUPACtert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate
SMILESCCCCCCNCC(NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C16H32N2O2/c1-5-6-7-8-11-17-12-14(13-9-10-13)18-15(19)20-16(2,3)4/h13-14,17H,5-12H2,1-4H3,(H,18,19)
InChIKeyXNULJPCZSNYSJL-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.46
Rot. Bonds9

About tert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate

tert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate (PubChem CID 107243932) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate
PubChem CID107243932
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate
SMILESCCCCCCNCC(NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C16H32N2O2/c1-5-6-7-8-11-17-12-14(13-9-10-13)18-15(19)20-16(2,3)4/h13-14,17H,5-12H2,1-4H3,(H,18,19)
InChIKeyXNULJPCZSNYSJL-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
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-[1-cyclopropyl-2-[(3-methoxy-3-methylbutyl)amino]ethyl]carbamate
CID 107244038
tert-butyl N-[1-(pentylamino)butan-2-yl]carbamate
CID 107250285
tert-butyl N-[1-cyclopropyl-2-(thian-4-ylamino)ethyl]carbamate
CID 103872279
tert-butyl N-(1-cyclopropyl-3-oxopentyl)carbamate
CID 165465125
methyl 2-[4-(hexylcarbamoylamino)cyclohexyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 69151123
tert-butyl N-[2-(octadecylamino)ethyl]carbamate
CID 168851346
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate
CID 151817419
tert-butyl N-[3-(decylamino)propyl]carbamate
CID 103821957
tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate
CID 107243980
tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate
CID 107243978
tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate
CID 107095366
tert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate
CID 107243924

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate (CID 107243932) is tert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate is CCCCCCNCC(NC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate?
The InChIKey is XNULJPCZSNYSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-6-7-8-11-17-12-14(13-9-10-13)18-15(19)20-16(2,3)4/h13-14,17H,5-12H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate?
tert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate is sourced from PubChem (CID 107243932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).