N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine

C16H31N — CID 55232030

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine
SMILESCCCCCCC(C)NCC1CC2CCC1C2
InChIInChI=1S/C16H31N/c1-3-4-5-6-7-13(2)17-12-16-11-14-8-9-15(16)10-14/h13-17H,3-12H2,1-2H3
InChIKeyZHFCIMCJAMUSNO-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds8

About N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine (PubChem CID 55232030) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine
PubChem CID55232030
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine
SMILESCCCCCCC(C)NCC1CC2CCC1C2
InChIInChI=1S/C16H31N/c1-3-4-5-6-7-13(2)17-12-16-11-14-8-9-15(16)10-14/h13-17H,3-12H2,1-2H3
InChIKeyZHFCIMCJAMUSNO-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

N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 61309535
N-[(2-methylcyclohexyl)methyl]nonan-2-amine
CID 63455367
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine
CID 79552439
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 79555022
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938569
1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine
CID 115831312
1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine
CID 115833241
N-(cyclobutylmethyl)octan-2-amine
CID 43298239
N-[(4-methylcyclohexyl)methyl]nonan-2-amine
CID 63464065
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpentan-1-amine
CID 63683470
(1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine
CID 81385495
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)hexanamide
CID 63684003

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine (CID 55232030) is N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine is CCCCCCC(C)NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine?
The InChIKey is ZHFCIMCJAMUSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-3-4-5-6-7-13(2)17-12-16-11-14-8-9-15(16)10-14/h13-17H,3-12H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)octan-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 N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine is sourced from PubChem (CID 55232030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).