tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate

C17H34N2O3 — CID 103387806

IUPACtert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NCC1CCCC1
InChIInChI=1S/C17H34N2O3/c1-17(2,3)22-16(20)18-11-7-10-15(13-21-4)19-12-14-8-5-6-9-14/h14-15,19H,5-13H2,1-4H3,(H,18,20)
InChIKeySCBRAKDQFMXNKX-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.09
Rot. Bonds9

About tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate

tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate (PubChem CID 103387806) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate
PubChem CID103387806
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NCC1CCCC1
InChIInChI=1S/C17H34N2O3/c1-17(2,3)22-16(20)18-11-7-10-15(13-21-4)19-12-14-8-5-6-9-14/h14-15,19H,5-13H2,1-4H3,(H,18,20)
InChIKeySCBRAKDQFMXNKX-UHFFFAOYSA-N
XLogP3.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate
CID 103387264
tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate
CID 103386975
tert-butyl N-[4-[(2-hydroxy-2-methylpropyl)amino]-5-methoxypentyl]carbamate
CID 103390147
tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate
CID 103386966
tert-butyl N-[4-(2-butoxyethylamino)-5-methoxypentyl]carbamate
CID 103389448
tert-butyl N-[5-methoxy-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentyl]carbamate
CID 103387888
tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate
CID 103390094
tert-butyl N-[4-(2-cyanoethylamino)-5-methoxypentyl]carbamate
CID 103387651
tert-butyl N-[4-[(5-amino-5-oxopentyl)amino]-5-methoxypentyl]carbamate
CID 106234166
tert-butyl N-[5-methoxy-4-(pent-4-ynylamino)pentyl]carbamate
CID 106220539
tert-butyl N-[5-methoxy-4-(2,2,3,3-tetrafluoropropylamino)pentyl]carbamate
CID 106289739
tert-butyl N-[5-methoxy-4-[[(E)-pent-3-enyl]amino]pentyl]carbamate
CID 103390947

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate?
The IUPAC name of tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate (CID 103387806) is tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate is COCC(CCCNC(=O)OC(C)(C)C)NCC1CCCC1.
What is the InChIKey of tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate?
The InChIKey is SCBRAKDQFMXNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-17(2,3)22-16(20)18-11-7-10-15(13-21-4)19-12-14-8-5-6-9-14/h14-15,19H,5-13H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate?
tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate has a molecular weight of 314.47 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate is sourced from PubChem (CID 103387806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).