(2S)-N-pentyl-N-propan-2-yl-6-azaspiro[2.5]octane-2-carboxamide

C16H30N2O — CID 95358742

IUPAC(2S)-N-pentyl-N-propan-2-yl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCCCCN(C(=O)[C@H]1CC12CCNCC2)C(C)C
InChIInChI=1S/C16H30N2O/c1-4-5-6-11-18(13(2)3)15(19)14-12-16(14)7-9-17-10-8-16/h13-14,17H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyDTFNKUVEABUYSB-CQSZACIVSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds6

About (2S)-N-pentyl-N-propan-2-yl-6-azaspiro[2.5]octane-2-carboxamide

(2S)-N-pentyl-N-propan-2-yl-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 95358742) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (2S)-N-pentyl-N-propan-2-yl-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-pentyl-N-propan-2-yl-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID95358742
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(2S)-N-pentyl-N-propan-2-yl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCCCCN(C(=O)[C@H]1CC12CCNCC2)C(C)C
InChIInChI=1S/C16H30N2O/c1-4-5-6-11-18(13(2)3)15(19)14-12-16(14)7-9-17-10-8-16/h13-14,17H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyDTFNKUVEABUYSB-CQSZACIVSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2S)-N-pentyl-N-propan-2-yl-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-N-pentyl-N-propan-2-yl-6-azaspiro[2.5]octane-2-carboxamide (CID 95358742) is (2S)-N-pentyl-N-propan-2-yl-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-N-pentyl-N-propan-2-yl-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-N-pentyl-N-propan-2-yl-6-azaspiro[2.5]octane-2-carboxamide is CCCCCN(C(=O)[C@H]1CC12CCNCC2)C(C)C.
What is the InChIKey of (2S)-N-pentyl-N-propan-2-yl-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is DTFNKUVEABUYSB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-5-6-11-18(13(2)3)15(19)14-12-16(14)7-9-17-10-8-16/h13-14,17H,4-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (2S)-N-pentyl-N-propan-2-yl-6-azaspiro[2.5]octane-2-carboxamide?
(2S)-N-pentyl-N-propan-2-yl-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-pentyl-N-propan-2-yl-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 95358742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).