tert-butyl N-[1-(4-imino-2-methylpent-2-en-3-yl)-5-methylpiperidin-3-yl]carbamate

C17H31N3O2 — CID 123157765

IUPACtert-butyl N-[1-(4-imino-2-methylpent-2-en-3-yl)-5-methylpiperidin-3-yl]carbamate
SMILES[H]/N=C(\C)C(=C(C)C)N1CC(C)CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H31N3O2/c1-11(2)15(13(4)18)20-9-12(3)8-14(10-20)19-16(21)22-17(5,6)7/h12,14,18H,8-10H2,1-7H3,(H,19,21)/b18-13+
InChIKeyMFSHTRBOIOOPES-QGOAFFKASA-N
MW309.45 g/mol
LogP3.56
Rot. Bonds3

About tert-butyl N-[1-(4-imino-2-methylpent-2-en-3-yl)-5-methylpiperidin-3-yl]carbamate

tert-butyl N-[1-(4-imino-2-methylpent-2-en-3-yl)-5-methylpiperidin-3-yl]carbamate (PubChem CID 123157765) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is tert-butyl N-[1-(4-imino-2-methylpent-2-en-3-yl)-5-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-imino-2-methylpent-2-en-3-yl)-5-methylpiperidin-3-yl]carbamate
PubChem CID123157765
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Nametert-butyl N-[1-(4-imino-2-methylpent-2-en-3-yl)-5-methylpiperidin-3-yl]carbamate
SMILES[H]/N=C(\C)C(=C(C)C)N1CC(C)CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H31N3O2/c1-11(2)15(13(4)18)20-9-12(3)8-14(10-20)19-16(21)22-17(5,6)7/h12,14,18H,8-10H2,1-7H3,(H,19,21)/b18-13+
InChIKeyMFSHTRBOIOOPES-QGOAFFKASA-N
XLogP3.56
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3S)-1-carbamimidoylpyrrolidin-3-yl]carbamate
CID 95187739
tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate
CID 112543137
tert-butyl (3S,5R)-3-methyl-5-(2,2,2-trichloroethoxycarbonylamino)piperidine-1-carboxylate
CID 143793103
methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate
CID 112543161
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate
CID 103759512
methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 112544763
tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
CID 158395553
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate
CID 83007357
methyl 3-[1-acetyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]propanoate
CID 112544479
tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate
CID 162753501

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-imino-2-methylpent-2-en-3-yl)-5-methylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-imino-2-methylpent-2-en-3-yl)-5-methylpiperidin-3-yl]carbamate (CID 123157765) is tert-butyl N-[1-(4-imino-2-methylpent-2-en-3-yl)-5-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-imino-2-methylpent-2-en-3-yl)-5-methylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-imino-2-methylpent-2-en-3-yl)-5-methylpiperidin-3-yl]carbamate is [H]/N=C(\C)C(=C(C)C)N1CC(C)CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[1-(4-imino-2-methylpent-2-en-3-yl)-5-methylpiperidin-3-yl]carbamate?
The InChIKey is MFSHTRBOIOOPES-QGOAFFKASA-N. The full InChI is InChI=1S/C17H31N3O2/c1-11(2)15(13(4)18)20-9-12(3)8-14(10-20)19-16(21)22-17(5,6)7/h12,14,18H,8-10H2,1-7H3,(H,19,21)/b18-13+.
What are the key properties of tert-butyl N-[1-(4-imino-2-methylpent-2-en-3-yl)-5-methylpiperidin-3-yl]carbamate?
tert-butyl N-[1-(4-imino-2-methylpent-2-en-3-yl)-5-methylpiperidin-3-yl]carbamate has a molecular weight of 309.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-imino-2-methylpent-2-en-3-yl)-5-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 123157765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).