tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate

C17H34N2O2 — CID 79462216

IUPACtert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate
SMILESCCCCCC(C)NC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-6-7-8-9-13(2)18-14-10-11-15(12-14)19-16(20)21-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyLWRUEHMMNWHDJW-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.99
Rot. Bonds7

About tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate

tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate (PubChem CID 79462216) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate
PubChem CID79462216
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate
SMILESCCCCCC(C)NC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-6-7-8-9-13(2)18-14-10-11-15(12-14)19-16(20)21-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyLWRUEHMMNWHDJW-UHFFFAOYSA-N
XLogP3.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 79461433
tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate
CID 80559507
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
tert-butyl N-[2-(hexan-2-ylamino)cyclopropyl]carbamate
CID 107237524
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 83178088
tert-butyl N-[3-(4-methylsulfinylbutan-2-ylamino)cyclohexyl]carbamate
CID 104866904
tert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate
CID 103720194
tert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate
CID 63303190
tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
CID 79461574
tert-butyl 3-(octan-2-ylamino)azepane-1-carboxylate
CID 107249375
tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate
CID 103720166

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate (CID 79462216) is tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate is CCCCCC(C)NC1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate?
The InChIKey is LWRUEHMMNWHDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-7-8-9-13(2)18-14-10-11-15(12-14)19-16(20)21-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate?
tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate is sourced from PubChem (CID 79462216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).