2-cyclopropyl-N-heptyloxolan-3-amine

C14H27NO — CID 103580652

IUPAC2-cyclopropyl-N-heptyloxolan-3-amine
SMILESCCCCCCCNC1CCOC1C1CC1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-6-10-15-13-9-11-16-14(13)12-7-8-12/h12-15H,2-11H2,1H3
InChIKeyCOIZYFVOTJRWQI-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds8

About 2-cyclopropyl-N-heptyloxolan-3-amine

2-cyclopropyl-N-heptyloxolan-3-amine (PubChem CID 103580652) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-heptyloxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-heptyloxolan-3-amine
PubChem CID103580652
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-cyclopropyl-N-heptyloxolan-3-amine
SMILESCCCCCCCNC1CCOC1C1CC1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-6-10-15-13-9-11-16-14(13)12-7-8-12/h12-15H,2-11H2,1H3
InChIKeyCOIZYFVOTJRWQI-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
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-heptyloxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-heptyloxolan-3-amine (CID 103580652) is 2-cyclopropyl-N-heptyloxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-heptyloxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-heptyloxolan-3-amine is CCCCCCCNC1CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-heptyloxolan-3-amine?
The InChIKey is COIZYFVOTJRWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-4-5-6-10-15-13-9-11-16-14(13)12-7-8-12/h12-15H,2-11H2,1H3.
What are the key properties of 2-cyclopropyl-N-heptyloxolan-3-amine?
2-cyclopropyl-N-heptyloxolan-3-amine has a molecular weight of 225.38 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-heptyloxolan-3-amine is sourced from PubChem (CID 103580652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).