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

C13H29N3 — CID 102994386

IUPACN'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
SMILESCCN(CCCN(C)C)CC1(C)CCCN1
InChIInChI=1S/C13H29N3/c1-5-16(11-7-10-15(3)4)12-13(2)8-6-9-14-13/h14H,5-12H2,1-4H3
InChIKeyDMEOWHQGOYPEGT-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds7

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

N'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine (PubChem CID 102994386) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
PubChem CID102994386
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
SMILESCCN(CCCN(C)C)CC1(C)CCCN1
InChIInChI=1S/C13H29N3/c1-5-16(11-7-10-15(3)4)12-13(2)8-6-9-14-13/h14H,5-12H2,1-4H3
InChIKeyDMEOWHQGOYPEGT-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
CID 113430567
N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine
CID 104594977
N-(cyclobutylmethyl)-N-[(2-methylpyrrolidin-2-yl)methyl]ethanamine
CID 107399295
N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine
CID 104595090
N-ethyl-N-[(2-methylpiperidin-2-yl)methyl]prop-2-en-1-amine
CID 104595227
N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
CID 104595168
N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994374
N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine
CID 102997109
N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine
CID 102997141
N-(furan-2-ylmethyl)-N-[(2-methylpiperidin-2-yl)methyl]ethanamine
CID 104594869
N-methyl-N-[(2-methylpiperidin-2-yl)methyl]propan-2-amine
CID 104594706
N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 104594932

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine (CID 102994386) is N'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine is CCN(CCCN(C)C)CC1(C)CCCN1.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine?
The InChIKey is DMEOWHQGOYPEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-16(11-7-10-15(3)4)12-13(2)8-6-9-14-13/h14H,5-12H2,1-4H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine?
N'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 102994386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).