N-methyl-1-[(5R)-5-methylcyclononyl]methanamine

C12H25N — CID 155332043

IUPACN-methyl-1-[(5R)-5-methylcyclononyl]methanamine
SMILESCNCC1CCCC[C@@H](C)CCC1
InChIInChI=1S/C12H25N/c1-11-6-3-4-8-12(10-13-2)9-5-7-11/h11-13H,3-10H2,1-2H3/t11-,12?/m1/s1
InChIKeySOTXTSJOZYURAC-JHJMLUEUSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds2

About N-methyl-1-[(5R)-5-methylcyclononyl]methanamine

N-methyl-1-[(5R)-5-methylcyclononyl]methanamine (PubChem CID 155332043) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-methyl-1-[(5R)-5-methylcyclononyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(5R)-5-methylcyclononyl]methanamine
PubChem CID155332043
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-methyl-1-[(5R)-5-methylcyclononyl]methanamine
SMILESCNCC1CCCC[C@@H](C)CCC1
InChIInChI=1S/C12H25N/c1-11-6-3-4-8-12(10-13-2)9-5-7-11/h11-13H,3-10H2,1-2H3/t11-,12?/m1/s1
InChIKeySOTXTSJOZYURAC-JHJMLUEUSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(5R)-5-methylcyclononyl]methanamine?
The IUPAC name of N-methyl-1-[(5R)-5-methylcyclononyl]methanamine (CID 155332043) is N-methyl-1-[(5R)-5-methylcyclononyl]methanamine.
What is the SMILES notation for N-methyl-1-[(5R)-5-methylcyclononyl]methanamine?
The canonical SMILES for N-methyl-1-[(5R)-5-methylcyclononyl]methanamine is CNCC1CCCC[C@@H](C)CCC1.
What is the InChIKey of N-methyl-1-[(5R)-5-methylcyclononyl]methanamine?
The InChIKey is SOTXTSJOZYURAC-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H25N/c1-11-6-3-4-8-12(10-13-2)9-5-7-11/h11-13H,3-10H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of N-methyl-1-[(5R)-5-methylcyclononyl]methanamine?
N-methyl-1-[(5R)-5-methylcyclononyl]methanamine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(5R)-5-methylcyclononyl]methanamine is sourced from PubChem (CID 155332043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).