N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpropan-2-amine

C12H21N — CID 43754984

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CC2C=CC1C2
InChIInChI=1S/C12H21N/c1-12(2,3)13-8-11-7-9-4-5-10(11)6-9/h4-5,9-11,13H,6-8H2,1-3H3
InChIKeyZIAXQOGRBVLJNT-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.59
Rot. Bonds2

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpropan-2-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpropan-2-amine (PubChem CID 43754984) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpropan-2-amine
PubChem CID43754984
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CC2C=CC1C2
InChIInChI=1S/C12H21N/c1-12(2,3)13-8-11-7-9-4-5-10(11)6-9/h4-5,9-11,13H,6-8H2,1-3H3
InChIKeyZIAXQOGRBVLJNT-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpropan-2-amine (CID 43754984) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpropan-2-amine is CC(C)(C)NCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpropan-2-amine?
The InChIKey is ZIAXQOGRBVLJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-12(2,3)13-8-11-7-9-4-5-10(11)6-9/h4-5,9-11,13H,6-8H2,1-3H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpropan-2-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpropan-2-amine has a molecular weight of 179.31 g/mol, XLogP of 2.59, 2 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]hept-5-enylmethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 43754984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).