N-methyl-3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine

C14H27N3 — CID 59888254

IUPACN-methyl-3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCNC1C2CCC(C2)C1CN1CCN(C)CC1
InChIInChI=1S/C14H27N3/c1-15-14-12-4-3-11(9-12)13(14)10-17-7-5-16(2)6-8-17/h11-15H,3-10H2,1-2H3
InChIKeyICWPMUHJECHFNF-UHFFFAOYSA-N
MW237.39 g/mol
LogP0.87
Rot. Bonds3

About N-methyl-3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine

N-methyl-3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 59888254) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-methyl-3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-methyl-3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID59888254
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-methyl-3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCNC1C2CCC(C2)C1CN1CCN(C)CC1
InChIInChI=1S/C14H27N3/c1-15-14-12-4-3-11(9-12)13(14)10-17-7-5-16(2)6-8-17/h11-15H,3-10H2,1-2H3
InChIKeyICWPMUHJECHFNF-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-methyl-3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 59888254) is N-methyl-3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-methyl-3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-methyl-3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine is CNC1C2CCC(C2)C1CN1CCN(C)CC1.
What is the InChIKey of N-methyl-3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is ICWPMUHJECHFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-15-14-12-4-3-11(9-12)13(14)10-17-7-5-16(2)6-8-17/h11-15H,3-10H2,1-2H3.
What are the key properties of N-methyl-3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
N-methyl-3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 59888254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).