(2S,3R)-2-methyl-N-pentyloxolan-3-amine

C10H21NO — CID 97358110

IUPAC(2S,3R)-2-methyl-N-pentyloxolan-3-amine
SMILESCCCCCN[C@@H]1CCO[C@H]1C
InChIInChI=1S/C10H21NO/c1-3-4-5-7-11-10-6-8-12-9(10)2/h9-11H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyNEXMMUDAFVNRFG-VHSXEESVSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds5

About (2S,3R)-2-methyl-N-pentyloxolan-3-amine

(2S,3R)-2-methyl-N-pentyloxolan-3-amine (PubChem CID 97358110) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S,3R)-2-methyl-N-pentyloxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-methyl-N-pentyloxolan-3-amine
PubChem CID97358110
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S,3R)-2-methyl-N-pentyloxolan-3-amine
SMILESCCCCCN[C@@H]1CCO[C@H]1C
InChIInChI=1S/C10H21NO/c1-3-4-5-7-11-10-6-8-12-9(10)2/h9-11H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyNEXMMUDAFVNRFG-VHSXEESVSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
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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Related Compounds

N-Ethyltetrahydrofurfurylamine
CID 98295
Isopropyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 263171
N-(oxolan-2-ylmethyl)butan-1-amine
CID 263177
Propyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 3144565
(2s,4r)-4-Methoxy-2-(methoxymethyl)pyrrolidine
CID 13397591
N-[(oxolan-2-yl)methyl]cyclohexanamine
CID 263190
3-(Cyclopentyloxy)pyrrolidine
CID 62329447
(2R)-2-((tert-butoxy)methyl)pyrrolidine hydrochloride
CID 132327773
(2S)-2-[(tert-butoxy)methyl]pyrrolidine hydrochloride
CID 132327774
N-[(oxolan-2-yl)methyl]cyclopentanamine hydrochloride
CID 146049680
rac-(2R,3R)-3-methoxy-2-methylpyrrolidine hydrochloride
CID 154845828
(2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 57326560

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-N-pentyloxolan-3-amine?
The IUPAC name of (2S,3R)-2-methyl-N-pentyloxolan-3-amine (CID 97358110) is (2S,3R)-2-methyl-N-pentyloxolan-3-amine.
What is the SMILES notation for (2S,3R)-2-methyl-N-pentyloxolan-3-amine?
The canonical SMILES for (2S,3R)-2-methyl-N-pentyloxolan-3-amine is CCCCCN[C@@H]1CCO[C@H]1C.
What is the InChIKey of (2S,3R)-2-methyl-N-pentyloxolan-3-amine?
The InChIKey is NEXMMUDAFVNRFG-VHSXEESVSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-5-7-11-10-6-8-12-9(10)2/h9-11H,3-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (2S,3R)-2-methyl-N-pentyloxolan-3-amine?
(2S,3R)-2-methyl-N-pentyloxolan-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-N-pentyloxolan-3-amine is sourced from PubChem (CID 97358110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).