N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine

C13H28N2O — CID 64570291

IUPACN-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine
SMILESCOCC1CCN(CCCNCC(C)C)C1
InChIInChI=1S/C13H28N2O/c1-12(2)9-14-6-4-7-15-8-5-13(10-15)11-16-3/h12-14H,4-11H2,1-3H3
InChIKeyJIGOAKQWAQFCFF-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.59
Rot. Bonds8

About N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine

N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine (PubChem CID 64570291) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine
PubChem CID64570291
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine
SMILESCOCC1CCN(CCCNCC(C)C)C1
InChIInChI=1S/C13H28N2O/c1-12(2)9-14-6-4-7-15-8-5-13(10-15)11-16-3/h12-14H,4-11H2,1-3H3
InChIKeyJIGOAKQWAQFCFF-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.59
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

3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine
CID 64570290
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64582008
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-2-amine
CID 64568140
1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol
CID 113317616
5-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64570689
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol
CID 64597053
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine
CID 64570092
3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63979502
5-(4-ethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55069235
4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62422628
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 64582805
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine (CID 64570291) is N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine is COCC1CCN(CCCNCC(C)C)C1.
What is the InChIKey of N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine?
The InChIKey is JIGOAKQWAQFCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2)9-14-6-4-7-15-8-5-13(10-15)11-16-3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine?
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64570291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).