(3S)-2,2,5,5-tetramethyl-N-pent-3-ynyloxolan-3-amine

C13H23NO — CID 99611405

IUPAC(3S)-2,2,5,5-tetramethyl-N-pent-3-ynyloxolan-3-amine
SMILESCC#CCCN[C@H]1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H23NO/c1-6-7-8-9-14-11-10-12(2,3)15-13(11,4)5/h11,14H,8-10H2,1-5H3/t11-/m0/s1
InChIKeyLZBDWZDWSMPFBB-NSHDSACASA-N
MW209.33 g/mol
LogP2.34
Rot. Bonds3

About (3S)-2,2,5,5-tetramethyl-N-pent-3-ynyloxolan-3-amine

(3S)-2,2,5,5-tetramethyl-N-pent-3-ynyloxolan-3-amine (PubChem CID 99611405) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (3S)-2,2,5,5-tetramethyl-N-pent-3-ynyloxolan-3-amine.

Molecular Properties

Compound Name(3S)-2,2,5,5-tetramethyl-N-pent-3-ynyloxolan-3-amine
PubChem CID99611405
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(3S)-2,2,5,5-tetramethyl-N-pent-3-ynyloxolan-3-amine
SMILESCC#CCCN[C@H]1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H23NO/c1-6-7-8-9-14-11-10-12(2,3)15-13(11,4)5/h11,14H,8-10H2,1-5H3/t11-/m0/s1
InChIKeyLZBDWZDWSMPFBB-NSHDSACASA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-2,2,5,5-tetramethyl-N-pent-3-ynyloxolan-3-amine?
The IUPAC name of (3S)-2,2,5,5-tetramethyl-N-pent-3-ynyloxolan-3-amine (CID 99611405) is (3S)-2,2,5,5-tetramethyl-N-pent-3-ynyloxolan-3-amine.
What is the SMILES notation for (3S)-2,2,5,5-tetramethyl-N-pent-3-ynyloxolan-3-amine?
The canonical SMILES for (3S)-2,2,5,5-tetramethyl-N-pent-3-ynyloxolan-3-amine is CC#CCCN[C@H]1CC(C)(C)OC1(C)C.
What is the InChIKey of (3S)-2,2,5,5-tetramethyl-N-pent-3-ynyloxolan-3-amine?
The InChIKey is LZBDWZDWSMPFBB-NSHDSACASA-N. The full InChI is InChI=1S/C13H23NO/c1-6-7-8-9-14-11-10-12(2,3)15-13(11,4)5/h11,14H,8-10H2,1-5H3/t11-/m0/s1.
What are the key properties of (3S)-2,2,5,5-tetramethyl-N-pent-3-ynyloxolan-3-amine?
(3S)-2,2,5,5-tetramethyl-N-pent-3-ynyloxolan-3-amine has a molecular weight of 209.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2,5,5-tetramethyl-N-pent-3-ynyloxolan-3-amine is sourced from PubChem (CID 99611405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).