2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine

C13H25NO — CID 102672745

IUPAC2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine
SMILESCC(C)CCCNC1CCOC1C1CC1
InChIInChI=1S/C13H25NO/c1-10(2)4-3-8-14-12-7-9-15-13(12)11-5-6-11/h10-14H,3-9H2,1-2H3
InChIKeyHVTZWQHYHOMGND-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds6

About 2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine

2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine (PubChem CID 102672745) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine
PubChem CID102672745
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine
SMILESCC(C)CCCNC1CCOC1C1CC1
InChIInChI=1S/C13H25NO/c1-10(2)4-3-8-14-12-7-9-15-13(12)11-5-6-11/h10-14H,3-9H2,1-2H3
InChIKeyHVTZWQHYHOMGND-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
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

(2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612956
(2S,4S)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
CID 99995025
(2R,4S)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
CID 99995028
(2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
CID 99995031
(2R,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
CID 99995033
(2R,4S)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine
CID 99995037
(2S,4S)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine
CID 99995039
(2R,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine
CID 99995042
(2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine
CID 99995044
4-(2-Fluoro-ethoxy)-2-isopropyl-pyrrolidine
CID 102568647
4-(2-Fluoro-ethoxy)-2-isobutyl-pyrrolidine
CID 102568648
2-cyclopropyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine
CID 102613100

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine (CID 102672745) is 2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine is CC(C)CCCNC1CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine?
The InChIKey is HVTZWQHYHOMGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)4-3-8-14-12-7-9-15-13(12)11-5-6-11/h10-14H,3-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine?
2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine is sourced from PubChem (CID 102672745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).