N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine

C14H31N3 — CID 104594977

IUPACN,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)CC1(C)CCCCN1
InChIInChI=1S/C14H31N3/c1-5-10-17(12-11-16(3)4)13-14(2)8-6-7-9-15-14/h15H,5-13H2,1-4H3
InChIKeyMGJDXGKWFCKONR-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds7

About N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine

N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine (PubChem CID 104594977) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine
PubChem CID104594977
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)CC1(C)CCCCN1
InChIInChI=1S/C14H31N3/c1-5-10-17(12-11-16(3)4)13-14(2)8-6-7-9-15-14/h15H,5-13H2,1-4H3
InChIKeyMGJDXGKWFCKONR-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
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,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine
CID 104595090
N'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 102994386
N-ethyl-N-[(2-methylpiperidin-2-yl)methyl]prop-2-en-1-amine
CID 104595227
N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65002076
N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
CID 104595168
N'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 81170922
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
N-methyl-N-[(2-methylpiperidin-2-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 104595249
N-(cyclobutylmethyl)-N-[(2-methylpyrrolidin-2-yl)methyl]ethanamine
CID 107399295
N-(furan-2-ylmethyl)-N-[(2-methylpiperidin-2-yl)methyl]ethanamine
CID 104594869

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine (CID 104594977) is N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)CC1(C)CCCCN1.
What is the InChIKey of N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine?
The InChIKey is MGJDXGKWFCKONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-10-17(12-11-16(3)4)13-14(2)8-6-7-9-15-14/h15H,5-13H2,1-4H3.
What are the key properties of N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine?
N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 104594977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).