tert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate

C15H31N3O2 — CID 107248841

IUPACtert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(CNC1CCC(N)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H31N3O2/c1-10(2)13(18-14(19)20-15(3,4)5)9-17-12-7-6-11(16)8-12/h10-13,17H,6-9,16H2,1-5H3,(H,18,19)
InChIKeyDGPGHYQTFWYIAR-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.01
Rot. Bonds5

About tert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate

tert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate (PubChem CID 107248841) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate
PubChem CID107248841
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nametert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(CNC1CCC(N)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H31N3O2/c1-10(2)13(18-14(19)20-15(3,4)5)9-17-12-7-6-11(16)8-12/h10-13,17H,6-9,16H2,1-5H3,(H,18,19)
InChIKeyDGPGHYQTFWYIAR-UHFFFAOYSA-N
XLogP2.01
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate (CID 107248841) is tert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate is CC(C)C(CNC1CCC(N)C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate?
The InChIKey is DGPGHYQTFWYIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-10(2)13(18-14(19)20-15(3,4)5)9-17-12-7-6-11(16)8-12/h10-13,17H,6-9,16H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate?
tert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate has a molecular weight of 285.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 107248841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).