1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine

C14H28N4 — CID 82853075

IUPAC1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C2(CN)CCN3CCCC32)C1
InChIInChI=1S/C14H28N4/c1-16(2)12-5-8-18(10-12)14(11-15)6-9-17-7-3-4-13(14)17/h12-13H,3-11,15H2,1-2H3
InChIKeyKKKBGDCFEXFVGO-UHFFFAOYSA-N
MW252.41 g/mol
LogP0.19
Rot. Bonds3

About 1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine

1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 82853075) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID82853075
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C2(CN)CCN3CCCC32)C1
InChIInChI=1S/C14H28N4/c1-16(2)12-5-8-18(10-12)14(11-15)6-9-17-7-3-4-13(14)17/h12-13H,3-11,15H2,1-2H3
InChIKeyKKKBGDCFEXFVGO-UHFFFAOYSA-N
XLogP0.19
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 82853079
[1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 82853766
[1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine
CID 103494845
[1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 82824035
[1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine
CID 103531964
1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine
CID 114080155
1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 79847823
[1-(2,2-dimethylhydrazinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 83010988
1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63166067
1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine
CID 114818204
1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63165977
1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166157

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine (CID 82853075) is 1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(C2(CN)CCN3CCCC32)C1.
What is the InChIKey of 1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is KKKBGDCFEXFVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-16(2)12-5-8-18(10-12)14(11-15)6-9-17-7-3-4-13(14)17/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine?
1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 252.41 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 82853075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).