2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine

C14H30N4 — CID 117005638

IUPAC2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCC(N2CCC(CN)C2)CC1
InChIInChI=1S/C14H30N4/c1-16(2)9-10-17-6-4-14(5-7-17)18-8-3-13(11-15)12-18/h13-14H,3-12,15H2,1-2H3
InChIKeyDVZIZLHHOYTTBF-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.29
Rot. Bonds5

About 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine

2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine (PubChem CID 117005638) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine
PubChem CID117005638
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCC(N2CCC(CN)C2)CC1
InChIInChI=1S/C14H30N4/c1-16(2)9-10-17-6-4-14(5-7-17)18-8-3-13(11-15)12-18/h13-14H,3-12,15H2,1-2H3
InChIKeyDVZIZLHHOYTTBF-UHFFFAOYSA-N
XLogP0.29
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 43373551
4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 83262461
[1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine
CID 117006031
2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 79533305
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine
CID 62977792
[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 24703138
[(3R)-1-cyclopentylpiperidin-3-yl]methanamine
CID 27440320
[1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanol
CID 64866043
[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride
CID 171394437
2-[3-(1,4-diazepan-1-yl)pyrrolidin-1-yl]-N,N-dimethylethanamine
CID 117004539
3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 19845999
2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine
CID 117024844

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine (CID 117005638) is 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCC(N2CCC(CN)C2)CC1.
What is the InChIKey of 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine?
The InChIKey is DVZIZLHHOYTTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-16(2)9-10-17-6-4-14(5-7-17)18-8-3-13(11-15)12-18/h13-14H,3-12,15H2,1-2H3.
What are the key properties of 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine?
2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine has a molecular weight of 254.42 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 117005638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).