1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine

C16H31N — CID 115833241

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine
SMILESCCCCCCC(CC1CC2CCC1C2)NC
InChIInChI=1S/C16H31N/c1-3-4-5-6-7-16(17-2)12-15-11-13-8-9-14(15)10-13/h13-17H,3-12H2,1-2H3
InChIKeyBMTKFRVOFQEFIQ-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds8

About 1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine (PubChem CID 115833241) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine
PubChem CID115833241
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine
SMILESCCCCCCC(CC1CC2CCC1C2)NC
InChIInChI=1S/C16H31N/c1-3-4-5-6-7-16(17-2)12-15-11-13-8-9-14(15)10-13/h13-17H,3-12H2,1-2H3
InChIKeyBMTKFRVOFQEFIQ-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine
CID 115831312
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105167964
1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
CID 79562229
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine
CID 79563312
N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine
CID 55232030
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylidenehexan-2-amine
CID 105005765
1-cyclobutyl-N-methylnonan-2-amine
CID 115863864
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 63683279
N-methyl-1-[(1S,2R)-2-octylcyclopropyl]hexadecan-8-amine
CID 135356098
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine
CID 115845637
1-cyclohexyl-N-methylheptan-2-amine
CID 115836969
4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79558705

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine (CID 115833241) is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine is CCCCCCC(CC1CC2CCC1C2)NC.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine?
The InChIKey is BMTKFRVOFQEFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-3-4-5-6-7-16(17-2)12-15-11-13-8-9-14(15)10-13/h13-17H,3-12H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine has a molecular weight of 237.43 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine is sourced from PubChem (CID 115833241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).