tert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate

C16H30N2O3 — CID 103390972

IUPACtert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NC1CC=CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)17-11-7-10-14(12-20-4)18-13-8-5-6-9-13/h5-6,13-14,18H,7-12H2,1-4H3,(H,17,19)
InChIKeySDCJWWBTBWIYMZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.61
Rot. Bonds8

About tert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate

tert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate (PubChem CID 103390972) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate
PubChem CID103390972
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NC1CC=CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)17-11-7-10-14(12-20-4)18-13-8-5-6-9-13/h5-6,13-14,18H,7-12H2,1-4H3,(H,17,19)
InChIKeySDCJWWBTBWIYMZ-UHFFFAOYSA-N
XLogP2.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.61
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

tert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate
CID 103387264
tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate
CID 103386966
tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate
CID 103387806
tert-butyl N-[(4S)-5-methoxy-4-[[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]pentyl]carbamate
CID 100705528
tert-butyl N-[5-methoxy-4-[[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]pentyl]carbamate
CID 119036270
tert-butyl N-[4-[(2-hydroxy-2-methylpropyl)amino]-5-methoxypentyl]carbamate
CID 103390147
tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate
CID 103386975
tert-butyl N-[4-(3,3-dimethylbutan-2-ylamino)-5-methoxypentyl]carbamate
CID 103390924
N-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine
CID 115728475
tert-butyl N-[5-methoxy-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentyl]carbamate
CID 103387888
tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 103387404
tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate
CID 103390094

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate?
The IUPAC name of tert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate (CID 103390972) is tert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate is COCC(CCCNC(=O)OC(C)(C)C)NC1CC=CC1.
What is the InChIKey of tert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate?
The InChIKey is SDCJWWBTBWIYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)17-11-7-10-14(12-20-4)18-13-8-5-6-9-13/h5-6,13-14,18H,7-12H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate?
tert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate is sourced from PubChem (CID 103390972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).