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

C16H30N2O2 — CID 103082520

IUPACtert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCCC1NCC1CC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)18-14-8-6-4-5-7-13(14)17-11-12-9-10-12/h12-14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyFQLAXCZSEYDBAY-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.21
Rot. Bonds4

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

tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate (PubChem CID 103082520) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
PubChem CID103082520
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCCC1NCC1CC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)18-14-8-6-4-5-7-13(14)17-11-12-9-10-12/h12-14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyFQLAXCZSEYDBAY-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate
CID 107244141
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid
CID 21251921
tert-butyl N-[2-(2,2-dimethoxyethylamino)cycloheptyl]carbamate
CID 107244083
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
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
CID 162423539
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate
CID 68975767
tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate
CID 103082529
tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate
CID 107238309

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate (CID 103082520) is tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate is CC(C)(C)OC(=O)NC1CCCCCC1NCC1CC1.
What is the InChIKey of tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate?
The InChIKey is FQLAXCZSEYDBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)18-14-8-6-4-5-7-13(14)17-11-12-9-10-12/h12-14,17H,4-11H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate?
tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate has a molecular weight of 282.43 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-(cyclopropylmethylamino)cycloheptyl]carbamate is sourced from PubChem (CID 103082520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).