N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine

C13H25NO2 — CID 79628640

IUPACN-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine
SMILESCC(C)(CNC1CC1)COCC1CCOC1
InChIInChI=1S/C13H25NO2/c1-13(2,9-14-12-3-4-12)10-16-8-11-5-6-15-7-11/h11-12,14H,3-10H2,1-2H3
InChIKeySOLZSNXDCPCNRR-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.82
Rot. Bonds7

About N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine

N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine (PubChem CID 79628640) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine
PubChem CID79628640
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine
SMILESCC(C)(CNC1CC1)COCC1CCOC1
InChIInChI=1S/C13H25NO2/c1-13(2,9-14-12-3-4-12)10-16-8-11-5-6-15-7-11/h11-12,14H,3-10H2,1-2H3
InChIKeySOLZSNXDCPCNRR-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine?
The IUPAC name of N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine (CID 79628640) is N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine.
What is the SMILES notation for N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine?
The canonical SMILES for N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine is CC(C)(CNC1CC1)COCC1CCOC1.
What is the InChIKey of N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine?
The InChIKey is SOLZSNXDCPCNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,9-14-12-3-4-12)10-16-8-11-5-6-15-7-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine?
N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine has a molecular weight of 227.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine is sourced from PubChem (CID 79628640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).