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

C19H37N — CID 115831312

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine
SMILESCCCCCCCCCC(CC1CC2CCC1C2)NC
InChIInChI=1S/C19H37N/c1-3-4-5-6-7-8-9-10-19(20-2)15-18-14-16-11-12-17(18)13-16/h16-20H,3-15H2,1-2H3
InChIKeyNMUVQJJJIFBVJM-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.54
Rot. Bonds11

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

1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine (PubChem CID 115831312) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine
PubChem CID115831312
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine
SMILESCCCCCCCCCC(CC1CC2CCC1C2)NC
InChIInChI=1S/C19H37N/c1-3-4-5-6-7-8-9-10-19(20-2)15-18-14-16-11-12-17(18)13-16/h16-20H,3-15H2,1-2H3
InChIKeyNMUVQJJJIFBVJM-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.54
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-methyloctan-2-amine
CID 115833241
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
4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79558705
1-cyclohexyl-N-methylheptan-2-amine
CID 115836969

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine (CID 115831312) is 1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine is CCCCCCCCCC(CC1CC2CCC1C2)NC.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine?
The InChIKey is NMUVQJJJIFBVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-3-4-5-6-7-8-9-10-19(20-2)15-18-14-16-11-12-17(18)13-16/h16-20H,3-15H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine has a molecular weight of 279.51 g/mol, XLogP of 5.54, 11 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-methylundecan-2-amine is sourced from PubChem (CID 115831312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).