tert-butyl N-[4-[2-(cyclopenten-1-yl)ethylamino]-5-methoxypentyl]carbamate

C18H34N2O3 — CID 106169653

IUPACtert-butyl N-[4-[2-(cyclopenten-1-yl)ethylamino]-5-methoxypentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NCCC1=CCCC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-17(21)20-12-7-10-16(14-22-4)19-13-11-15-8-5-6-9-15/h8,16,19H,5-7,9-14H2,1-4H3,(H,20,21)
InChIKeyRBOKEFACEYKZCW-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.40
Rot. Bonds10

About tert-butyl N-[4-[2-(cyclopenten-1-yl)ethylamino]-5-methoxypentyl]carbamate

tert-butyl N-[4-[2-(cyclopenten-1-yl)ethylamino]-5-methoxypentyl]carbamate (PubChem CID 106169653) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(cyclopenten-1-yl)ethylamino]-5-methoxypentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(cyclopenten-1-yl)ethylamino]-5-methoxypentyl]carbamate
PubChem CID106169653
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl N-[4-[2-(cyclopenten-1-yl)ethylamino]-5-methoxypentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NCCC1=CCCC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-17(21)20-12-7-10-16(14-22-4)19-13-11-15-8-5-6-9-15/h8,16,19H,5-7,9-14H2,1-4H3,(H,20,21)
InChIKeyRBOKEFACEYKZCW-UHFFFAOYSA-N
XLogP3.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.40
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'}

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Related Compounds

4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one
CID 19987380
tert-butyl N-[(3Z,5Z)-3-ethenyl-1-(oxolan-2-yl)hepta-3,5-dienyl]carbamate;methanamine
CID 143296805
tert-butyl N-[4-(cyclohex-3-en-1-ylmethylamino)-5-methoxypentyl]carbamate
CID 103389704
tert-butyl N-[4-(cyclohex-3-en-1-ylamino)-5-methoxypentyl]carbamate
CID 103390229
tert-butyl N-[5-methoxy-4-[[(E)-pent-3-enyl]amino]pentyl]carbamate
CID 103390947
tert-butyl N-[4-(but-3-enylamino)-5-methoxypentyl]carbamate
CID 103390950
tert-butyl N-[5-methoxy-4-(pent-4-en-2-ylamino)pentyl]carbamate
CID 103390958
tert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate
CID 103390972
tert-butyl N-[5-methoxy-4-(3-methylbut-2-enylamino)pentyl]carbamate
CID 106180607
tert-butyl 4-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 107256857

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(cyclopenten-1-yl)ethylamino]-5-methoxypentyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(cyclopenten-1-yl)ethylamino]-5-methoxypentyl]carbamate (CID 106169653) is tert-butyl N-[4-[2-(cyclopenten-1-yl)ethylamino]-5-methoxypentyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(cyclopenten-1-yl)ethylamino]-5-methoxypentyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(cyclopenten-1-yl)ethylamino]-5-methoxypentyl]carbamate is COCC(CCCNC(=O)OC(C)(C)C)NCCC1=CCCC1.
What is the InChIKey of tert-butyl N-[4-[2-(cyclopenten-1-yl)ethylamino]-5-methoxypentyl]carbamate?
The InChIKey is RBOKEFACEYKZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-18(2,3)23-17(21)20-12-7-10-16(14-22-4)19-13-11-15-8-5-6-9-15/h8,16,19H,5-7,9-14H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[4-[2-(cyclopenten-1-yl)ethylamino]-5-methoxypentyl]carbamate?
tert-butyl N-[4-[2-(cyclopenten-1-yl)ethylamino]-5-methoxypentyl]carbamate has a molecular weight of 326.48 g/mol, XLogP of 3.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(cyclopenten-1-yl)ethylamino]-5-methoxypentyl]carbamate is sourced from PubChem (CID 106169653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).