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

C15H30N2O2 — CID 107442753

IUPACtert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate
SMILESC=CC(C)NCC(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C15H30N2O2/c1-8-12(4)16-9-13(11(2)3)10-17-14(18)19-15(5,6)7/h8,11-13,16H,1,9-10H2,2-7H3,(H,17,18)
InChIKeyVQRSNRRIJQUIAP-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.95
Rot. Bonds7

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

tert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate (PubChem CID 107442753) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate
PubChem CID107442753
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate
SMILESC=CC(C)NCC(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C15H30N2O2/c1-8-12(4)16-9-13(11(2)3)10-17-14(18)19-15(5,6)7/h8,11-13,16H,1,9-10H2,2-7H3,(H,17,18)
InChIKeyVQRSNRRIJQUIAP-UHFFFAOYSA-N
XLogP2.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.95
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

methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate
CID 107441353
tert-butyl N-[2-[(4-hydroxypentan-2-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442650
tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate
CID 107442613
ethyl 2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]propanoate
CID 107442062
tert-butyl N-[2-[(2,3-dimethylbutylamino)methyl]-3-methylbutyl]carbamate
CID 107442310
tert-butyl N-[3-methyl-2-[(1-methylsulfanylbutan-2-ylamino)methyl]butyl]carbamate
CID 107442788
tert-butyl N-[3-methyl-2-[(4-methylsulfanylbutan-2-ylamino)methyl]butyl]carbamate
CID 107442740
tert-butyl N-[2-[[(2-hydroxy-3-methylbutyl)amino]methyl]-3-methylbutyl]carbamate
CID 107442782
tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate
CID 105491434
tert-butyl N-[3-methyl-2-[(4-methylpentylamino)methyl]butyl]carbamate
CID 107441983
tert-butyl N-[3-methyl-2-[(1-thiophen-2-ylethylamino)methyl]butyl]carbamate
CID 107441231
tert-butyl N-[2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
CID 107442562

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate (CID 107442753) is tert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate is C=CC(C)NCC(CNC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate?
The InChIKey is VQRSNRRIJQUIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-8-12(4)16-9-13(11(2)3)10-17-14(18)19-15(5,6)7/h8,11-13,16H,1,9-10H2,2-7H3,(H,17,18).
What are the key properties of tert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate?
tert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate is sourced from PubChem (CID 107442753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).