1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine

C13H25NO2 — CID 115727743

IUPAC1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine
SMILESCC(CC1CC1)NCCCOC1CCOC1
InChIInChI=1S/C13H25NO2/c1-11(9-12-3-4-12)14-6-2-7-16-13-5-8-15-10-13/h11-14H,2-10H2,1H3
InChIKeyIVTIWMLRXDPXHM-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds8

About 1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine

1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine (PubChem CID 115727743) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine
PubChem CID115727743
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine
SMILESCC(CC1CC1)NCCCOC1CCOC1
InChIInChI=1S/C13H25NO2/c1-11(9-12-3-4-12)14-6-2-7-16-13-5-8-15-10-13/h11-14H,2-10H2,1H3
InChIKeyIVTIWMLRXDPXHM-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclohexyloxypropyl)-1-cyclopropylpropan-2-amine
CID 115707843
N-ethyl-5-(oxolan-3-yloxy)pentan-2-amine
CID 63557232
2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine
CID 115757125
N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine
CID 81300289
2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine
CID 115690996
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine
CID 97323660
1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine
CID 115890825
2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide
CID 119812727
N'-(1-cyclopropylpropan-2-yl)-N-methylpropane-1,3-diamine
CID 91064038
3-[(3R)-oxolan-3-yl]oxypropan-1-amine
CID 95969618
(3R)-3-(3-bromopropoxy)oxolane
CID 95240996
N-methyl-1-(oxolan-3-yloxy)propan-2-amine
CID 63556835

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine (CID 115727743) is 1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine is CC(CC1CC1)NCCCOC1CCOC1.
What is the InChIKey of 1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine?
The InChIKey is IVTIWMLRXDPXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(9-12-3-4-12)14-6-2-7-16-13-5-8-15-10-13/h11-14H,2-10H2,1H3.
What are the key properties of 1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine?
1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine has a molecular weight of 227.35 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine is sourced from PubChem (CID 115727743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).