tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate

C16H32N2O2 — CID 103082504

IUPACtert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
SMILESCC(C)CNC1CCCCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)11-17-13-9-7-6-8-10-14(13)18-15(19)20-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyGTXIEJJXHIHUIY-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.46
Rot. Bonds4

About tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate

tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate (PubChem CID 103082504) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
PubChem CID103082504
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
SMILESCC(C)CNC1CCCCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)11-17-13-9-7-6-8-10-14(13)18-15(19)20-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyGTXIEJJXHIHUIY-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

tert-butyl N-[2-(2,2-dimethoxyethylamino)cycloheptyl]carbamate
CID 107244083
tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate
CID 103082529
tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate
CID 107243618
tert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate
CID 124868723
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid
CID 21251921
tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate
CID 103082516
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid
CID 107244084
tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate
CID 107244101
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate (CID 103082504) is tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate is CC(C)CNC1CCCCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate?
The InChIKey is GTXIEJJXHIHUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)11-17-13-9-7-6-8-10-14(13)18-15(19)20-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate?
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.46, 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-(2-methylpropylamino)cycloheptyl]carbamate is sourced from PubChem (CID 103082504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).