tert-butyl N-[1-(propylideneamino)ethenyl]carbamate

C10H18N2O2 — CID 174088644

IUPACtert-butyl N-[1-(propylideneamino)ethenyl]carbamate
SMILESC=C(N=CCC)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H18N2O2/c1-6-7-11-8(2)12-9(13)14-10(3,4)5/h7H,2,6H2,1,3-5H3,(H,12,13)
InChIKeySSPILXVAZOGGHZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.46
Rot. Bonds3

About tert-butyl N-[1-(propylideneamino)ethenyl]carbamate

tert-butyl N-[1-(propylideneamino)ethenyl]carbamate (PubChem CID 174088644) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is tert-butyl N-[1-(propylideneamino)ethenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(propylideneamino)ethenyl]carbamate
PubChem CID174088644
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nametert-butyl N-[1-(propylideneamino)ethenyl]carbamate
SMILESC=C(N=CCC)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H18N2O2/c1-6-7-11-8(2)12-9(13)14-10(3,4)5/h7H,2,6H2,1,3-5H3,(H,12,13)
InChIKeySSPILXVAZOGGHZ-UHFFFAOYSA-N
XLogP2.46
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate
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tert-butyl N-(2-bromoacetyl)carbamate
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tert-butyl N-prop-2-enoylcarbamate
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ethyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
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tert-butyl N-[(2E)-2-ethoxyiminoethyl]carbamate
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(2-methylpropan-2-yl)oxycarbonylcarbamic acid
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tert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate
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tert-butyl N-(N-butyl-C-ethylcarbonimidoyl)carbamate
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ethyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(propylideneamino)ethenyl]carbamate?
The IUPAC name of tert-butyl N-[1-(propylideneamino)ethenyl]carbamate (CID 174088644) is tert-butyl N-[1-(propylideneamino)ethenyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(propylideneamino)ethenyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(propylideneamino)ethenyl]carbamate is C=C(N=CCC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(propylideneamino)ethenyl]carbamate?
The InChIKey is SSPILXVAZOGGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-6-7-11-8(2)12-9(13)14-10(3,4)5/h7H,2,6H2,1,3-5H3,(H,12,13).
What are the key properties of tert-butyl N-[1-(propylideneamino)ethenyl]carbamate?
tert-butyl N-[1-(propylideneamino)ethenyl]carbamate has a molecular weight of 198.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(propylideneamino)ethenyl]carbamate is sourced from PubChem (CID 174088644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).