2-cyclopropyl-3-heptyloxolan-3-amine

C14H27NO — CID 104510276

IUPAC2-cyclopropyl-3-heptyloxolan-3-amine
SMILESCCCCCCCC1(N)CCOC1C1CC1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-6-9-14(15)10-11-16-13(14)12-7-8-12/h12-13H,2-11,15H2,1H3
InChIKeyBGOFNDCTRDFDJZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.24
Rot. Bonds7

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

2-cyclopropyl-3-heptyloxolan-3-amine (PubChem CID 104510276) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-cyclopropyl-3-heptyloxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-heptyloxolan-3-amine
PubChem CID104510276
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-cyclopropyl-3-heptyloxolan-3-amine
SMILESCCCCCCCC1(N)CCOC1C1CC1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-6-9-14(15)10-11-16-13(14)12-7-8-12/h12-13H,2-11,15H2,1H3
InChIKeyBGOFNDCTRDFDJZ-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.24
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

2-cyclopropyl-3-propyloxolan-3-amine
CID 104510271
2-cyclopropyl-3-(4-methoxybutyl)oxolan-3-amine
CID 104650505
2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine
CID 113420901
2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine
CID 106459238
2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine
CID 106733925
2-cyclopropyl-3-(2-fluoroethyl)oxolan-3-amine
CID 164649094
2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine
CID 103017197
3-butyl-2-methyloxolan-3-amine
CID 114535354
N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine
CID 104509877
2-cyclopropyl-3-(2,2-difluoroethyl)oxolan-3-amine
CID 164655201
2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
CID 104510321
3-(cyclohexylmethyl)-2-cyclopropyloxolan-3-amine
CID 104510320

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-heptyloxolan-3-amine?
The IUPAC name of 2-cyclopropyl-3-heptyloxolan-3-amine (CID 104510276) is 2-cyclopropyl-3-heptyloxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-3-heptyloxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-3-heptyloxolan-3-amine is CCCCCCCC1(N)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-heptyloxolan-3-amine?
The InChIKey is BGOFNDCTRDFDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-4-5-6-9-14(15)10-11-16-13(14)12-7-8-12/h12-13H,2-11,15H2,1H3.
What are the key properties of 2-cyclopropyl-3-heptyloxolan-3-amine?
2-cyclopropyl-3-heptyloxolan-3-amine has a molecular weight of 225.38 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-heptyloxolan-3-amine is sourced from PubChem (CID 104510276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).