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

C12H27N3 — CID 79314716

IUPACN-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
SMILESCCNCCCN(C)CC1CCCN1C
InChIInChI=1S/C12H27N3/c1-4-13-8-6-9-14(2)11-12-7-5-10-15(12)3/h12-13H,4-11H2,1-3H3
InChIKeyDFOGIFIIDZOYDV-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds7

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

N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine (PubChem CID 79314716) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
PubChem CID79314716
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
SMILESCCNCCCN(C)CC1CCCN1C
InChIInChI=1S/C12H27N3/c1-4-13-8-6-9-14(2)11-12-7-5-10-15(12)3/h12-13H,4-11H2,1-3H3
InChIKeyDFOGIFIIDZOYDV-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
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

N-butyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79312803
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propylethane-1,2-diamine
CID 79314040
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]butane-1,4-diamine
CID 79312706
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 79314288
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79318682
methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate
CID 79313620
6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid
CID 79314027
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine
CID 79319044
methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate
CID 79309260
2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79315867
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpentane-1,4-diamine
CID 79313502
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine
CID 79313161

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine (CID 79314716) is N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine is CCNCCCN(C)CC1CCCN1C.
What is the InChIKey of N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine?
The InChIKey is DFOGIFIIDZOYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-13-8-6-9-14(2)11-12-7-5-10-15(12)3/h12-13H,4-11H2,1-3H3.
What are the key properties of N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine?
N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79314716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).