tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate

C19H30N2O2 — CID 107239571

IUPACtert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CNC2CCCCCC2)cc1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)21-17-12-10-15(11-13-17)14-20-16-8-6-4-5-7-9-16/h10-13,16,20H,4-9,14H2,1-3H3,(H,21,22)
InChIKeyMVWVVTMIENQXOY-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.85
Rot. Bonds4

About tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate

tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate (PubChem CID 107239571) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate
PubChem CID107239571
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CNC2CCCCCC2)cc1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)21-17-12-10-15(11-13-17)14-20-16-8-6-4-5-7-9-16/h10-13,16,20H,4-9,14H2,1-3H3,(H,21,22)
InChIKeyMVWVVTMIENQXOY-UHFFFAOYSA-N
XLogP4.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate
CID 107239611
tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate
CID 107239561
tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate
CID 118957337
tert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate
CID 107239512
N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide
CID 106910518
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate
CID 103698918
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
CID 106910531
tert-butyl N-[4-[(trifluoromethylamino)methyl]phenyl]carbamate
CID 174812466
N-[(4-tert-butylphenyl)methyl]cycloheptanamine
CID 28509997
4-[(cyclooctylamino)methyl]benzoic acid;hydrochloride
CID 17158513
tert-butyl 3-[[4-(carbamothioylamino)phenyl]methylamino]piperidine-1-carboxylate
CID 169357708

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate (CID 107239571) is tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CNC2CCCCCC2)cc1.
What is the InChIKey of tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate?
The InChIKey is MVWVVTMIENQXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)21-17-12-10-15(11-13-17)14-20-16-8-6-4-5-7-9-16/h10-13,16,20H,4-9,14H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate?
tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate is sourced from PubChem (CID 107239571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).