N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine

C14H28N2O2 — CID 103409411

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCC1CCN(C2CC2)C1
InChIInChI=1S/C14H28N2O2/c1-17-9-10-18-8-2-6-15-11-13-5-7-16(12-13)14-3-4-14/h13-15H,2-12H2,1H3
InChIKeySKDGZLNICPAVKU-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.11
Rot. Bonds10

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 103409411) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
PubChem CID103409411
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCC1CCN(C2CC2)C1
InChIInChI=1S/C14H28N2O2/c1-17-9-10-18-8-2-6-15-11-13-5-7-16(12-13)14-3-4-14/h13-15H,2-12H2,1H3
InChIKeySKDGZLNICPAVKU-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112588836
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethanol
CID 60977405
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103409514
2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 103178617
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile
CID 60977265
2-methoxy-N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]ethanamine
CID 103410149
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326322
N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513450
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
CID 125446366
N-[(1-cyclobutylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62522605
3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 106025656
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-3-yn-1-amine
CID 63655458

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine (CID 103409411) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine is COCCOCCCNCC1CCN(C2CC2)C1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is SKDGZLNICPAVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-17-9-10-18-8-2-6-15-11-13-5-7-16(12-13)14-3-4-14/h13-15H,2-12H2,1H3.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 1.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 103409411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).