2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C14H32N4 — CID 103188053

IUPAC2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C1(CN)CCCN(C)C1
InChIInChI=1S/C14H32N4/c1-6-18(13(2)10-16(3)4)14(11-15)8-7-9-17(5)12-14/h13H,6-12,15H2,1-5H3
InChIKeyZGDQZGVLRAKJKD-UHFFFAOYSA-N
MW256.44 g/mol
LogP0.68
Rot. Bonds6

About 2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103188053) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is 2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103188053
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C1(CN)CCCN(C)C1
InChIInChI=1S/C14H32N4/c1-6-18(13(2)10-16(3)4)14(11-15)8-7-9-17(5)12-14/h13H,6-12,15H2,1-5H3
InChIKeyZGDQZGVLRAKJKD-UHFFFAOYSA-N
XLogP0.68
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

2-N-[1-(aminomethyl)cyclopropyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 106661407
2-N-[4-(aminomethyl)oxepan-4-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188230
2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188208
2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188231
3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine
CID 82948380
2-N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188191
4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine
CID 79484107
N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65074890
3-(aminomethyl)-N-(cyclopropylmethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine
CID 62975286
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine
CID 65074989
2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188241
4-(aminomethyl)-N-butan-2-yl-N-butyl-1-methylazepan-4-amine
CID 65075573

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103188053) is 2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(C(C)CN(C)C)C1(CN)CCCN(C)C1.
What is the InChIKey of 2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is ZGDQZGVLRAKJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-6-18(13(2)10-16(3)4)14(11-15)8-7-9-17(5)12-14/h13H,6-12,15H2,1-5H3.
What are the key properties of 2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 256.44 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103188053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).