tert-butyl N-[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]carbamate

C18H32N2O2 — CID 103715502

IUPACtert-butyl N-[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCC2CC=CCC2)CC1
InChIInChI=1S/C18H32N2O2/c1-18(2,3)22-17(21)20-16-11-9-15(10-12-16)19-13-14-7-5-4-6-8-14/h4-5,14-16,19H,6-13H2,1-3H3,(H,20,21)
InChIKeyPHPFRYSJFLUJBG-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.77
Rot. Bonds4

About tert-butyl N-[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]carbamate

tert-butyl N-[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]carbamate (PubChem CID 103715502) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is tert-butyl N-[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]carbamate
PubChem CID103715502
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Nametert-butyl N-[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCC2CC=CCC2)CC1
InChIInChI=1S/C18H32N2O2/c1-18(2,3)22-17(21)20-16-11-9-15(10-12-16)19-13-14-7-5-4-6-8-14/h4-5,14-16,19H,6-13H2,1-3H3,(H,20,21)
InChIKeyPHPFRYSJFLUJBG-UHFFFAOYSA-N
XLogP3.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]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-[(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 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate
CID 162417829
tert-butyl N-[4-amino-5-(trifluoromethyl)cyclohex-2-en-1-yl]carbamate
CID 162589201
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
tert-butyl N-(6-bicyclo[3.1.0]hex-2-enyl)carbamate
CID 22479431
tert-butyl N-[(cyclohex-3-en-1-yl)methyl]carbamate
CID 53728628

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]carbamate (CID 103715502) is tert-butyl N-[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCC2CC=CCC2)CC1.
What is the InChIKey of tert-butyl N-[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]carbamate?
The InChIKey is PHPFRYSJFLUJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-18(2,3)22-17(21)20-16-11-9-15(10-12-16)19-13-14-7-5-4-6-8-14/h4-5,14-16,19H,6-13H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]carbamate has a molecular weight of 308.47 g/mol, XLogP of 3.77, 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-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]carbamate is sourced from PubChem (CID 103715502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).