tert-butyl N-[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamate

C18H32N2O2 — CID 69178300

IUPACtert-butyl N-[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamate
SMILESC=CCN(CC=C)C1(C)CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H32N2O2/c1-7-13-20(14-8-2)18(6)11-9-15(10-12-18)19-16(21)22-17(3,4)5/h7-8,15H,1-2,9-14H2,3-6H3,(H,19,21)
InChIKeyWLWQDVDTTIZTDH-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.89
Rot. Bonds6

About tert-butyl N-[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamate

tert-butyl N-[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamate (PubChem CID 69178300) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is tert-butyl N-[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamate
PubChem CID69178300
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Nametert-butyl N-[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamate
SMILESC=CCN(CC=C)C1(C)CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H32N2O2/c1-7-13-20(14-8-2)18(6)11-9-15(10-12-18)19-16(21)22-17(3,4)5/h7-8,15H,1-2,9-14H2,3-6H3,(H,19,21)
InChIKeyWLWQDVDTTIZTDH-UHFFFAOYSA-N
XLogP3.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamate (CID 69178300) is tert-butyl N-[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamate is C=CCN(CC=C)C1(C)CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamate?
The InChIKey is WLWQDVDTTIZTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-7-13-20(14-8-2)18(6)11-9-15(10-12-18)19-16(21)22-17(3,4)5/h7-8,15H,1-2,9-14H2,3-6H3,(H,19,21).
What are the key properties of tert-butyl N-[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamate?
tert-butyl N-[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamate has a molecular weight of 308.47 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamate is sourced from PubChem (CID 69178300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).