tert-butyl N-[[2-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methyl]carbamate

C19H34N2O2 — CID 103695476

IUPACtert-butyl N-[[2-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1NCC1CC=CCC1
InChIInChI=1S/C19H34N2O2/c1-19(2,3)23-18(22)21-14-16-11-7-8-12-17(16)20-13-15-9-5-4-6-10-15/h4-5,15-17,20H,6-14H2,1-3H3,(H,21,22)
InChIKeyHOAZAOIRFPLMPB-UHFFFAOYSA-N
MW322.49 g/mol
LogP4.02
Rot. Bonds5

About tert-butyl N-[[2-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methyl]carbamate

tert-butyl N-[[2-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methyl]carbamate (PubChem CID 103695476) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is tert-butyl N-[[2-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methyl]carbamate
PubChem CID103695476
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Nametert-butyl N-[[2-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1NCC1CC=CCC1
InChIInChI=1S/C19H34N2O2/c1-19(2,3)23-18(22)21-14-16-11-7-8-12-17(16)20-13-15-9-5-4-6-10-15/h4-5,15-17,20H,6-14H2,1-3H3,(H,21,22)
InChIKeyHOAZAOIRFPLMPB-UHFFFAOYSA-N
XLogP4.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate
CID 166632819
tert-butyl N-[(2R)-2-(4-fluorocyclohex-3-en-1-yl)-1,2,4a,5,6,7,8,8a-octahydroquinolin-6-yl]-N-methylcarbamate
CID 163953121
tert-butyl (2R)-2-[(3S)-1,2,3,6-tetrahydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11832298
tert-butyl N-[(E,2S)-1-cyclohexyl-6-methylhept-3-en-2-yl]carbamate
CID 11012323
tert-butyl N-[(E)-1-cyclohexyl-6-methylhept-3-en-2-yl]carbamate
CID 14012613
tert-butyl N-[(E)-1-cyclohexyl-5-methylhex-3-en-2-yl]carbamate
CID 14212989
tert-butyl N-[(E)-1-cyclohexyl-7-methyloct-3-en-2-yl]carbamate
CID 14212992
tert-butyl N-(5-methyl-2,3,3a,4,5,7a-hexahydro-1H-isoindol-4-yl)carbamate
CID 19365027
tert-butyl N-(2,3,3a,4,5,7a-hexahydro-1H-isoindol-4-yl)carbamate
CID 19365035
2(S)-t-Butyloxycarbonylamino-1-cyclohexyl-6-methylhept-3-ene
CID 53845728
tert-butyl N-[(2S)-1-cyclohexyl-5-methylhex-3-en-2-yl]carbamate
CID 53929490
tert-butyl N-[(2S)-1-cyclohexyl-7-methyloct-3-en-2-yl]carbamate
CID 53954916

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methyl]carbamate (CID 103695476) is tert-butyl N-[[2-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCCC1NCC1CC=CCC1.
What is the InChIKey of tert-butyl N-[[2-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methyl]carbamate?
The InChIKey is HOAZAOIRFPLMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-19(2,3)23-18(22)21-14-16-11-7-8-12-17(16)20-13-15-9-5-4-6-10-15/h4-5,15-17,20H,6-14H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[[2-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methyl]carbamate has a molecular weight of 322.49 g/mol, XLogP of 4.02, 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-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 103695476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).