2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine

C13H28N2O — CID 103531540

IUPAC2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
SMILESCCCCCC(C)(CN)N1CCC(OC)C1
InChIInChI=1S/C13H28N2O/c1-4-5-6-8-13(2,11-14)15-9-7-12(10-15)16-3/h12H,4-11,14H2,1-3H3
InChIKeyGZGJEXVERWCYCH-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.00
Rot. Bonds7

About 2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine

2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine (PubChem CID 103531540) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine.

Molecular Properties

Compound Name2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
PubChem CID103531540
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
SMILESCCCCCC(C)(CN)N1CCC(OC)C1
InChIInChI=1S/C13H28N2O/c1-4-5-6-8-13(2,11-14)15-9-7-12(10-15)16-3/h12H,4-11,14H2,1-3H3
InChIKeyGZGJEXVERWCYCH-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.00
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

4-methoxy-2-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine
CID 103531700
2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine
CID 79175486
2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
CID 63465793
2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
CID 103494824
2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine
CID 80557657
2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine
CID 63169684
2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
CID 80557534
2-methyl-2-(2-methylmorpholin-4-yl)nonan-1-amine
CID 43130140
1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine
CID 80557428
2-(2,6-dimethylmorpholin-4-yl)-2-methyloctan-1-amine
CID 43089493
2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine
CID 80557474
4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine
CID 130337153

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine?
The IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine (CID 103531540) is 2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine.
What is the SMILES notation for 2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine?
The canonical SMILES for 2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine is CCCCCC(C)(CN)N1CCC(OC)C1.
What is the InChIKey of 2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine?
The InChIKey is GZGJEXVERWCYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-5-6-8-13(2,11-14)15-9-7-12(10-15)16-3/h12H,4-11,14H2,1-3H3.
What are the key properties of 2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine?
2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine is sourced from PubChem (CID 103531540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).