N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine

C13H25NO2 — CID 43205697

IUPACN-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
SMILESCC(NCCCOCC1CCCO1)C1CC1
InChIInChI=1S/C13H25NO2/c1-11(12-5-6-12)14-7-3-8-15-10-13-4-2-9-16-13/h11-14H,2-10H2,1H3
InChIKeyGLMTWRXYULIQQS-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds8

About N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine

N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine (PubChem CID 43205697) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
PubChem CID43205697
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
SMILESCC(NCCCOCC1CCCO1)C1CC1
InChIInChI=1S/C13H25NO2/c1-11(12-5-6-12)14-7-3-8-15-10-13-4-2-9-16-13/h11-14H,2-10H2,1H3
InChIKeyGLMTWRXYULIQQS-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

1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine
CID 102868081
4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine
CID 43147199
N-[1-(3,5-dimethylphenyl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 81296850
N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81385044
N-[1-(4-iodophenyl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43770023
N-[2-(oxolan-2-ylmethoxy)ethyl]butan-2-amine
CID 62572646
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine
CID 43205736
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205741
(1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine
CID 93468404
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 106756981
N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine
CID 62572652

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine?
The IUPAC name of N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine (CID 43205697) is N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine is CC(NCCCOCC1CCCO1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine?
The InChIKey is GLMTWRXYULIQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(12-5-6-12)14-7-3-8-15-10-13-4-2-9-16-13/h11-14H,2-10H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine?
N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-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 N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 43205697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).