tert-butyl N-[2-(cycloheptylamino)propyl]carbamate

C15H30N2O2 — CID 103387396

IUPACtert-butyl N-[2-(cycloheptylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC1CCCCCC1
InChIInChI=1S/C15H30N2O2/c1-12(11-16-14(18)19-15(2,3)4)17-13-9-7-5-6-8-10-13/h12-13,17H,5-11H2,1-4H3,(H,16,18)
InChIKeyUQRIIRYSPHHPEC-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.21
Rot. Bonds4

About tert-butyl N-[2-(cycloheptylamino)propyl]carbamate

tert-butyl N-[2-(cycloheptylamino)propyl]carbamate (PubChem CID 103387396) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-[2-(cycloheptylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cycloheptylamino)propyl]carbamate
PubChem CID103387396
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-[2-(cycloheptylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC1CCCCCC1
InChIInChI=1S/C15H30N2O2/c1-12(11-16-14(18)19-15(2,3)4)17-13-9-7-5-6-8-10-13/h12-13,17H,5-11H2,1-4H3,(H,16,18)
InChIKeyUQRIIRYSPHHPEC-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate
CID 107248450
tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate
CID 107248525
tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
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tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate
CID 107248120
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]propyl]carbamate
CID 107248139
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate
CID 107440994
tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate
CID 107248356
tert-butyl (3R)-3-(cyclohexylamino)butanoate
CID 157049067
tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
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tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate
CID 103388270

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cycloheptylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cycloheptylamino)propyl]carbamate (CID 103387396) is tert-butyl N-[2-(cycloheptylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cycloheptylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cycloheptylamino)propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NC1CCCCCC1.
What is the InChIKey of tert-butyl N-[2-(cycloheptylamino)propyl]carbamate?
The InChIKey is UQRIIRYSPHHPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(11-16-14(18)19-15(2,3)4)17-13-9-7-5-6-8-10-13/h12-13,17H,5-11H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[2-(cycloheptylamino)propyl]carbamate?
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(cycloheptylamino)propyl]carbamate is sourced from PubChem (CID 103387396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).