3-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine

C11H23N5 — CID 63236521

IUPAC3-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
SMILESCN1CCC(CN(C)CCCN=[N+]=[N-])CC1
InChIInChI=1S/C11H23N5/c1-15-8-4-11(5-9-15)10-16(2)7-3-6-13-14-12/h11H,3-10H2,1-2H3
InChIKeyHORLDSDOIQFWIN-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.96
Rot. Bonds6

About 3-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine

3-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine (PubChem CID 63236521) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
PubChem CID63236521
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name3-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
SMILESCN1CCC(CN(C)CCCN=[N+]=[N-])CC1
InChIInChI=1S/C11H23N5/c1-15-8-4-11(5-9-15)10-16(2)7-3-6-13-14-12/h11H,3-10H2,1-2H3
InChIKeyHORLDSDOIQFWIN-UHFFFAOYSA-N
XLogP1.96
TPSA55.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-methylpiperidin-4-yl)methyl]ethanamine
CID 63236562
2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 63273734
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63274032
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one
CID 63236414
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylpropane-1,3-diamine
CID 63275954
N',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine
CID 65296305
[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methanethiol
CID 115228180
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylbutane-1,4-diamine
CID 63274674
1-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]cyclopentan-1-amine
CID 64681854
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

Frequently Asked Questions

What is the IUPAC name of 3-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine (CID 63236521) is 3-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine is CN1CCC(CN(C)CCCN=[N+]=[N-])CC1.
What is the InChIKey of 3-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine?
The InChIKey is HORLDSDOIQFWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-15-8-4-11(5-9-15)10-16(2)7-3-6-13-14-12/h11H,3-10H2,1-2H3.
What are the key properties of 3-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine?
3-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 63236521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).