1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine

C12H27N3 — CID 63274758

IUPAC1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
SMILESCCNCC(C)N(C)CC1CCN(C)C1
InChIInChI=1S/C12H27N3/c1-5-13-8-11(2)15(4)10-12-6-7-14(3)9-12/h11-13H,5-10H2,1-4H3
InChIKeyDGABOHJRKUGUOQ-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.87
Rot. Bonds6

About 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine

1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine (PubChem CID 63274758) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
PubChem CID63274758
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
SMILESCCNCC(C)N(C)CC1CCN(C)C1
InChIInChI=1S/C12H27N3/c1-5-13-8-11(2)15(4)10-12-6-7-14(3)9-12/h11-13H,5-10H2,1-4H3
InChIKeyDGABOHJRKUGUOQ-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine
CID 55174617
1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine
CID 63274281
2-N,3-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63276153
3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol
CID 115137663
3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine
CID 103226561
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83053845
1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63276195
1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine
CID 63234641
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentanoate
CID 64705195
2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentanenitrile
CID 64727725
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide
CID 63274278

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine (CID 63274758) is 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine is CCNCC(C)N(C)CC1CCN(C)C1.
What is the InChIKey of 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine?
The InChIKey is DGABOHJRKUGUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-5-13-8-11(2)15(4)10-12-6-7-14(3)9-12/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine?
1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 63274758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).