cis-(1R,2S)-2-(tert-butylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide

C13H27N3O — CID 138462120

IUPACcis-(1R,2S)-2-(tert-butylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide
SMILESCNCCNC(=O)[C@@H]1CCC[C@@H]1NC(C)(C)C
InChIInChI=1S/C13H27N3O/c1-13(2,3)16-11-7-5-6-10(11)12(17)15-9-8-14-4/h10-11,14,16H,5-9H2,1-4H3,(H,15,17)/t10-,11+/m1/s1
InChIKeyBSUUBOUXVBXCGP-MNOVXSKESA-N
MW241.38 g/mol
LogP0.88
Rot. Bonds5

About cis-(1R,2S)-2-(tert-butylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide

cis-(1R,2S)-2-(tert-butylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide (PubChem CID 138462120) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is cis-(1R,2S)-2-(tert-butylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(tert-butylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide
PubChem CID138462120
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Namecis-(1R,2S)-2-(tert-butylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide
SMILESCNCCNC(=O)[C@@H]1CCC[C@@H]1NC(C)(C)C
InChIInChI=1S/C13H27N3O/c1-13(2,3)16-11-7-5-6-10(11)12(17)15-9-8-14-4/h10-11,14,16H,5-9H2,1-4H3,(H,15,17)/t10-,11+/m1/s1
InChIKeyBSUUBOUXVBXCGP-MNOVXSKESA-N
XLogP0.88
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(tert-butylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(tert-butylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide (CID 138462120) is cis-(1R,2S)-2-(tert-butylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(tert-butylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(tert-butylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide is CNCCNC(=O)[C@@H]1CCC[C@@H]1NC(C)(C)C.
What is the InChIKey of cis-(1R,2S)-2-(tert-butylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide?
The InChIKey is BSUUBOUXVBXCGP-MNOVXSKESA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2,3)16-11-7-5-6-10(11)12(17)15-9-8-14-4/h10-11,14,16H,5-9H2,1-4H3,(H,15,17)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,2S)-2-(tert-butylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide?
cis-(1R,2S)-2-(tert-butylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(tert-butylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 138462120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).