N-(2-methoxyethyl)-2-methylidene-N-(pyrrolidin-2-ylmethyl)butan-1-amine

C13H26N2O — CID 106617725

IUPACN-(2-methoxyethyl)-2-methylidene-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESC=C(CC)CN(CCOC)CC1CCCN1
InChIInChI=1S/C13H26N2O/c1-4-12(2)10-15(8-9-16-3)11-13-6-5-7-14-13/h13-14H,2,4-11H2,1,3H3
InChIKeyPEKOXYSGCNKVRP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds8

About N-(2-methoxyethyl)-2-methylidene-N-(pyrrolidin-2-ylmethyl)butan-1-amine

N-(2-methoxyethyl)-2-methylidene-N-(pyrrolidin-2-ylmethyl)butan-1-amine (PubChem CID 106617725) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methylidene-N-(pyrrolidin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methylidene-N-(pyrrolidin-2-ylmethyl)butan-1-amine
PubChem CID106617725
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-methoxyethyl)-2-methylidene-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESC=C(CC)CN(CCOC)CC1CCCN1
InChIInChI=1S/C13H26N2O/c1-4-12(2)10-15(8-9-16-3)11-13-6-5-7-14-13/h13-14H,2,4-11H2,1,3H3
InChIKeyPEKOXYSGCNKVRP-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-methoxyethyl)-1-N,5-N,6-trimethylhept-6-ene-1,5-diamine
CID 141797349
Ethane;2-(ethoxymethyl)-4-methylidenepyrrolidine
CID 176568687
N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 61214234
2-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]ethanamine
CID 62580028
2-methoxy-N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]ethanamine
CID 66039980
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylidenebutyl)ethane-1,2-diamine
CID 66046895
2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070552
N-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103070553
2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103070556
N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine
CID 103339289
N-(2-methoxyethyl)-N-[(2-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine
CID 103339321
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine
CID 103339330

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methylidene-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methylidene-N-(pyrrolidin-2-ylmethyl)butan-1-amine (CID 106617725) is N-(2-methoxyethyl)-2-methylidene-N-(pyrrolidin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methylidene-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methylidene-N-(pyrrolidin-2-ylmethyl)butan-1-amine is C=C(CC)CN(CCOC)CC1CCCN1.
What is the InChIKey of N-(2-methoxyethyl)-2-methylidene-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The InChIKey is PEKOXYSGCNKVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-12(2)10-15(8-9-16-3)11-13-6-5-7-14-13/h13-14H,2,4-11H2,1,3H3.
What are the key properties of N-(2-methoxyethyl)-2-methylidene-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
N-(2-methoxyethyl)-2-methylidene-N-(pyrrolidin-2-ylmethyl)butan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methylidene-N-(pyrrolidin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 106617725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).