tert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate

C17H32N2O2 — CID 107442378

IUPACtert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)CNC1CC=CCC1
InChIInChI=1S/C17H32N2O2/c1-13(2)14(11-18-15-9-7-6-8-10-15)12-19-16(20)21-17(3,4)5/h6-7,13-15,18H,8-12H2,1-5H3,(H,19,20)
InChIKeyJZTFWWOYTZCYJA-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.48
Rot. Bonds6

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

tert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate (PubChem CID 107442378) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate
PubChem CID107442378
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)CNC1CC=CCC1
InChIInChI=1S/C17H32N2O2/c1-13(2)14(11-18-15-9-7-6-8-10-15)12-19-16(20)21-17(3,4)5/h6-7,13-15,18H,8-12H2,1-5H3,(H,19,20)
InChIKeyJZTFWWOYTZCYJA-UHFFFAOYSA-N
XLogP3.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.48
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-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate
CID 107440994
tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate
CID 107441028
tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate
CID 107441396
tert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate
CID 107442318
tert-butyl N-[2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-methylbutyl]carbamate
CID 107442391
tert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
CID 126816079
tert-butyl N-[2-[(2,3-dimethylbutylamino)methyl]-3-methylbutyl]carbamate
CID 107442310
tert-butyl N-[2-[[(2-hydroxy-3-methylbutyl)amino]methyl]-3-methylbutyl]carbamate
CID 107442782
ethyl 2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]propanoate
CID 107442062
tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate
CID 105491434
tert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442753
tert-butyl N-[3-methyl-2-[[(1-methylpiperidin-3-yl)methylamino]methyl]butyl]carbamate
CID 107442090

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate (CID 107442378) is tert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate is CC(C)C(CNC(=O)OC(C)(C)C)CNC1CC=CCC1.
What is the InChIKey of tert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate?
The InChIKey is JZTFWWOYTZCYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13(2)14(11-18-15-9-7-6-8-10-15)12-19-16(20)21-17(3,4)5/h6-7,13-15,18H,8-12H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate?
tert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate has a molecular weight of 296.45 g/mol, XLogP of 3.48, 6 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-ylamino)methyl]-3-methylbutyl]carbamate is sourced from PubChem (CID 107442378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).