2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C15H32N4 — CID 103188241

IUPAC2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C1(CN)CCN2CCCC21
InChIInChI=1S/C15H32N4/c1-5-19(13(2)11-17(3)4)15(12-16)8-10-18-9-6-7-14(15)18/h13-14H,5-12,16H2,1-4H3
InChIKeyXAHAWNWVTZIQFZ-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.82
Rot. Bonds6

About 2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103188241) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103188241
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C1(CN)CCN2CCCC21
InChIInChI=1S/C15H32N4/c1-5-19(13(2)11-17(3)4)15(12-16)8-10-18-9-6-7-14(15)18/h13-14H,5-12,16H2,1-4H3
InChIKeyXAHAWNWVTZIQFZ-UHFFFAOYSA-N
XLogP0.82
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853930
1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853588
1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853755
2-N-[1-(aminomethyl)-2-ethylcyclopentyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188193
2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188091
1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82854020
1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853157
2-N-[1-(aminomethyl)cyclopropyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 106661407
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853318
2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188053
2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188208
1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853847

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 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) is 2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(C(C)CN(C)C)C1(CN)CCN2CCCC21.
What is the InChIKey of 2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is XAHAWNWVTZIQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-5-19(13(2)11-17(3)4)15(12-16)8-10-18-9-6-7-14(15)18/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 268.45 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103188241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).