tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate

C18H34N2O3 — CID 103695505

IUPACtert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1NCC1CCOCC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-17(21)20-13-15-6-4-5-7-16(15)19-12-14-8-10-22-11-9-14/h14-16,19H,4-13H2,1-3H3,(H,20,21)
InChIKeyBNDJKNKMTLFANW-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.09
Rot. Bonds5

About tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate

tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate (PubChem CID 103695505) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate
PubChem CID103695505
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1NCC1CCOCC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-17(21)20-13-15-6-4-5-7-16(15)19-12-14-8-10-22-11-9-14/h14-16,19H,4-13H2,1-3H3,(H,20,21)
InChIKeyBNDJKNKMTLFANW-UHFFFAOYSA-N
XLogP3.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[[2-(oxan-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695439
tert-butyl N-[[2-[(1-methylpiperidin-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695749
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate
CID 107446347
tert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate
CID 107251461
tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate
CID 107251466
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671
tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate
CID 107238309
tert-butyl N-[[2-(2-prop-2-ynylsulfanylethylamino)cyclohexyl]methyl]carbamate
CID 103949273

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate (CID 103695505) is tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCCC1NCC1CCOCC1.
What is the InChIKey of tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate?
The InChIKey is BNDJKNKMTLFANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-18(2,3)23-17(21)20-13-15-6-4-5-7-16(15)19-12-14-8-10-22-11-9-14/h14-16,19H,4-13H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate has a molecular weight of 326.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 103695505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).