2-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine

C10H21N5 — CID 63236562

IUPAC2-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESCN1CCC(CN(C)CCN=[N+]=[N-])CC1
InChIInChI=1S/C10H21N5/c1-14-6-3-10(4-7-14)9-15(2)8-5-12-13-11/h10H,3-9H2,1-2H3
InChIKeyCUCJNKRVAXYRBI-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.57
Rot. Bonds5

About 2-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine

2-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (PubChem CID 63236562) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
PubChem CID63236562
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name2-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESCN1CCC(CN(C)CCN=[N+]=[N-])CC1
InChIInChI=1S/C10H21N5/c1-14-6-3-10(4-7-14)9-15(2)8-5-12-13-11/h10H,3-9H2,1-2H3
InChIKeyCUCJNKRVAXYRBI-UHFFFAOYSA-N
XLogP1.57
TPSA55.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 63273734
3-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 63236521
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one
CID 63236414
N,N'-bis(2-azidoethyl)-N,N'-dimethylethane-1,2-diamine
CID 91379196
[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methanethiol
CID 115228180
N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 176641061
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylethanamine
CID 63236887
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
N-methyl-N-[(3-methylcyclobutyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 176641060
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 138723132
1-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]cyclopentan-1-amine
CID 64681854

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of 2-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (CID 63236562) is 2-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for 2-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is CN1CCC(CN(C)CCN=[N+]=[N-])CC1.
What is the InChIKey of 2-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is CUCJNKRVAXYRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-14-6-3-10(4-7-14)9-15(2)8-5-12-13-11/h10H,3-9H2,1-2H3.
What are the key properties of 2-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
2-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 211.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 63236562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).