N-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,1-dimethylpiperidin-4-amine

C17H30N2 — CID 758014

IUPACN-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1
InChIInChI=1S/C17H30N2/c1-17(2)14-6-5-13(16(17)11-14)12-19(4)15-7-9-18(3)10-8-15/h5,14-16H,6-12H2,1-4H3/t14-,16-/m0/s1
InChIKeyRAHXEMCAPWJHLY-HOCLYGCPSA-N
MW262.44 g/mol
LogP3.00
Rot. Bonds3

About N-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,1-dimethylpiperidin-4-amine

N-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 758014) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID758014
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1
InChIInChI=1S/C17H30N2/c1-17(2)14-6-5-13(16(17)11-14)12-19(4)15-7-9-18(3)10-8-15/h5,14-16H,6-12H2,1-4H3/t14-,16-/m0/s1
InChIKeyRAHXEMCAPWJHLY-HOCLYGCPSA-N
XLogP3.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,1-dimethylpiperidin-4-amine (CID 758014) is N-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1.
What is the InChIKey of N-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is RAHXEMCAPWJHLY-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H30N2/c1-17(2)14-6-5-13(16(17)11-14)12-19(4)15-7-9-18(3)10-8-15/h5,14-16H,6-12H2,1-4H3/t14-,16-/m0/s1.
What are the key properties of N-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,1-dimethylpiperidin-4-amine?
N-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 262.44 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 758014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).