tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate

C14H29N3O2 — CID 123848410

IUPACtert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate
SMILESCCCC(/C(=N/C)NCC)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-8-10-11(12(15-6)16-9-2)17(7)13(18)19-14(3,4)5/h11H,8-10H2,1-7H3,(H,15,16)
InChIKeyVOSGWVGJKPGQAL-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.66
Rot. Bonds5

About tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate

tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate (PubChem CID 123848410) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate
PubChem CID123848410
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nametert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate
SMILESCCCC(/C(=N/C)NCC)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-8-10-11(12(15-6)16-9-2)17(7)13(18)19-14(3,4)5/h11H,8-10H2,1-7H3,(H,15,16)
InChIKeyVOSGWVGJKPGQAL-UHFFFAOYSA-N
XLogP2.66
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Butyl-4,5-dihydro-imidazole-1-carboxylic acid t-butyl ester
CID 21608189
tert-butyl N-(2-(4,5-dihydro-1H-imidazol-2-yl)ethyl)-N-methylcarbamate
CID 132343787
tert-butyl N-[1-[C-(1-amino-1-fluoroethyl)-N-ethylcarbonimidoyl]piperidin-4-yl]carbamate
CID 170121057
tert-butyl 6-(5,5,5-trifluoropentylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398291
tert-butyl 6-(4,4,4-trifluorobutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 105940375
Tert-butyl 3-amino-5-methyl-2,5,6,7-tetrahydro-1,4-diazepine-1-carboxylate
CID 53987042
tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate
CID 54080814
Tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-propyl-2,5,6,7-tetrahydro-1,4-diazepine-1-carboxylate
CID 54101615
tert-Butyl 2-(4,5-dihydro-1H-imidazol-2-yl)ethylcarbamate
CID 58381361
tert-butyl 2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
CID 67309952
tert-butyl 2-methyl-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
CID 67310465
tert-butyl 2-tert-butyl-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
CID 67311327

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate (CID 123848410) is tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate is CCCC(/C(=N/C)NCC)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate?
The InChIKey is VOSGWVGJKPGQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-8-10-11(12(15-6)16-9-2)17(7)13(18)19-14(3,4)5/h11H,8-10H2,1-7H3,(H,15,16).
What are the key properties of tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate?
tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate has a molecular weight of 271.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 123848410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).