tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate

C19H30N2O2 — CID 103698918

IUPACtert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccccc1CNC1CCCCC1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)21-14-16-10-8-7-9-15(16)13-20-17-11-5-4-6-12-17/h7-10,17,20H,4-6,11-14H2,1-3H3,(H,21,22)
InChIKeyIZMKMUPHLHXKMF-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.13
Rot. Bonds5

About tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate

tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate (PubChem CID 103698918) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate
PubChem CID103698918
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccccc1CNC1CCCCC1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)21-14-16-10-8-7-9-15(16)13-20-17-11-5-4-6-12-17/h7-10,17,20H,4-6,11-14H2,1-3H3,(H,21,22)
InChIKeyIZMKMUPHLHXKMF-UHFFFAOYSA-N
XLogP4.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate
CID 107248664
tert-butyl N-[[2-[(azetidin-3-ylamino)methyl]phenyl]methyl]carbamate
CID 107248667
tert-butyl 4-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylamino]azepane-1-carboxylate
CID 113383797
tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate
CID 107247266
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate
CID 115461578
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
tert-butyl N-[(2-cyclopentylsulfanyl-3-pyridinyl)methyl]carbamate
CID 58324958
tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate
CID 107239571
tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate
CID 107239611
tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate
CID 107247276

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate (CID 103698918) is tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccccc1CNC1CCCCC1.
What is the InChIKey of tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate?
The InChIKey is IZMKMUPHLHXKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)21-14-16-10-8-7-9-15(16)13-20-17-11-5-4-6-12-17/h7-10,17,20H,4-6,11-14H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate?
tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 103698918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).