2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine

C16H35N3O — CID 103226895

IUPAC2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCCN1CCCC1CN(C)C(CNCC(C)C)COC
InChIInChI=1S/C16H35N3O/c1-6-19-9-7-8-15(19)12-18(4)16(13-20-5)11-17-10-14(2)3/h14-17H,6-13H2,1-5H3
InChIKeyCNTNKAWXIUTTQL-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.66
Rot. Bonds10

About 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine

2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 103226895) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID103226895
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCCN1CCCC1CN(C)C(CNCC(C)C)COC
InChIInChI=1S/C16H35N3O/c1-6-19-9-7-8-15(19)12-18(4)16(13-20-5)11-17-10-14(2)3/h14-17H,6-13H2,1-5H3
InChIKeyCNTNKAWXIUTTQL-UHFFFAOYSA-N
XLogP1.66
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 103226897
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83054894
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79312433
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
1-N-cyclopropyl-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylbutane-1,2-diamine
CID 79312570
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methyl-1-N-propan-2-ylbutane-1,3-diamine
CID 79312939
1-N-cyclopropyl-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpentane-1,2-diamine
CID 83054981
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
CID 79312780
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 79312374
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990
3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol
CID 114357457
3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine
CID 103225627

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine (CID 103226895) is 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine is CCN1CCCC1CN(C)C(CNCC(C)C)COC.
What is the InChIKey of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is CNTNKAWXIUTTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-6-19-9-7-8-15(19)12-18(4)16(13-20-5)11-17-10-14(2)3/h14-17H,6-13H2,1-5H3.
What are the key properties of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 285.48 g/mol, XLogP of 1.66, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 103226895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).