tert-butyl N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate

C15H28N2O3 — CID 163646342

IUPACtert-butyl N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate
SMILESCO[C@@H]1CC=CCC1NCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17-11-7-10-16-12-8-5-6-9-13(12)19-4/h5-6,12-13,16H,7-11H2,1-4H3,(H,17,18)/t12?,13-/m1/s1
InChIKeyIINMHBAHKZWJRU-ZGTCLIOFSA-N
MW284.40 g/mol
LogP2.22
Rot. Bonds6

About tert-butyl N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate

tert-butyl N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate (PubChem CID 163646342) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate
PubChem CID163646342
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate
SMILESCO[C@@H]1CC=CCC1NCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17-11-7-10-16-12-8-5-6-9-13(12)19-4/h5-6,12-13,16H,7-11H2,1-4H3,(H,17,18)/t12?,13-/m1/s1
InChIKeyIINMHBAHKZWJRU-ZGTCLIOFSA-N
XLogP2.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2R,3S,5E,7E)-3-methoxytetradeca-5,7-dien-2-yl]carbamate
CID 11013217
[2-(Ethoxycarbonylamino)cyclohex-3-en-1-yl] methyl carbonate
CID 67826153
[2-[(2-Methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl] acetate
CID 69158157
1-(1,2,3,6-Tetrahydropyridin-2-yl)propyl carbamate
CID 69863458
tert-butyl N-[(1S,6S)-6-hydroxycyclohex-3-en-1-yl]carbamate
CID 89640765
tert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate
CID 123170006
tert-butyl N-[(2R,3S,5E,7E,9E)-3-methoxytetradeca-5,7,9-trien-2-yl]carbamate
CID 11145226
tert-butyl N-[3-(cyclohex-3-en-1-ylamino)cyclobutyl]carbamate
CID 80562459
tert-butyl N-[3-(cyclohex-3-en-1-ylamino)propyl]carbamate
CID 81736768
tert-butyl N-[(2R,3S,5E,7E)-8-cyano-3-methoxyocta-5,7-dien-2-yl]carbamate
CID 101042098
tert-butyl N-[(2S,3R,5E,7E)-3-methoxytetradeca-5,7-dien-2-yl]carbamate
CID 101042102
tert-butyl N-[4-(cyclohex-3-en-1-ylamino)-5-methoxypentyl]carbamate
CID 103390229

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate (CID 163646342) is tert-butyl N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate is CO[C@@H]1CC=CCC1NCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate?
The InChIKey is IINMHBAHKZWJRU-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17-11-7-10-16-12-8-5-6-9-13(12)19-4/h5-6,12-13,16H,7-11H2,1-4H3,(H,17,18)/t12?,13-/m1/s1.
What are the key properties of tert-butyl N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate?
tert-butyl N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate is sourced from PubChem (CID 163646342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).