N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine

C13H29N3O — CID 64582805

IUPACN-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCOCC1CCN(CCNCCCN(C)C)C1
InChIInChI=1S/C13H29N3O/c1-15(2)8-4-6-14-7-10-16-9-5-13(11-16)12-17-3/h13-14H,4-12H2,1-3H3
InChIKeyFWBNTHXZGBAZKL-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.50
Rot. Bonds9

About N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine

N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 64582805) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID64582805
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCOCC1CCN(CCNCCCN(C)C)C1
InChIInChI=1S/C13H29N3O/c1-15(2)8-4-6-14-7-10-16-9-5-13(11-16)12-17-3/h13-14H,4-12H2,1-3H3
InChIKeyFWBNTHXZGBAZKL-UHFFFAOYSA-N
XLogP0.50
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.50
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

3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine
CID 64570290
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine
CID 64582811
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine
CID 64570291
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63978168
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990
N-(dicyclopropylmethyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64583008
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-2-amine
CID 64568140
N-(cyclopentylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63979713
1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine
CID 131222845
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine
CID 64582200
N',N'-dimethyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28583738
1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 55089801

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine (CID 64582805) is N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine is COCC1CCN(CCNCCCN(C)C)C1.
What is the InChIKey of N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is FWBNTHXZGBAZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-15(2)8-4-6-14-7-10-16-9-5-13(11-16)12-17-3/h13-14H,4-12H2,1-3H3.
What are the key properties of N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine?
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 243.39 g/mol, XLogP of 0.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 64582805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).