N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine

C12H27N3 — CID 104595090

IUPACN,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine
SMILESCN(C)CCN(C)CC1(C)CCCCN1
InChIInChI=1S/C12H27N3/c1-12(7-5-6-8-13-12)11-15(4)10-9-14(2)3/h13H,5-11H2,1-4H3
InChIKeySJIJFPCTRNZSQG-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds5

About N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine (PubChem CID 104595090) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine
PubChem CID104595090
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine
SMILESCN(C)CCN(C)CC1(C)CCCCN1
InChIInChI=1S/C12H27N3/c1-12(7-5-6-8-13-12)11-15(4)10-9-14(2)3/h13H,5-11H2,1-4H3
InChIKeySJIJFPCTRNZSQG-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine
CID 104594977
N-methyl-N-[(2-methylpiperidin-2-yl)methyl]propan-2-amine
CID 104594706
N-methyl-1-(4-methylphenyl)-N-[(2-methylpiperidin-2-yl)methyl]methanamine
CID 104594732
N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
CID 113430567
N'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 102994386
N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63701115
N,N,N'-trimethyl-N'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 106976432
N-methyl-N-[(2-methylpiperidin-2-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 104595249
1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine
CID 104594891
N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 104594932
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

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine (CID 104595090) is N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine is CN(C)CCN(C)CC1(C)CCCCN1.
What is the InChIKey of N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is SJIJFPCTRNZSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-12(7-5-6-8-13-12)11-15(4)10-9-14(2)3/h13H,5-11H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 104595090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).