N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]propan-2-amine

C13H23N — CID 134895590

IUPACN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]propan-2-amine
SMILESCC(C)NCC1=CCC2CC1C2(C)C
InChIInChI=1S/C13H23N/c1-9(2)14-8-10-5-6-11-7-12(10)13(11,3)4/h5,9,11-12,14H,6-8H2,1-4H3
InChIKeyDTXDWFWQILFAJP-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.98
Rot. Bonds3

About N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]propan-2-amine

N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]propan-2-amine (PubChem CID 134895590) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]propan-2-amine
PubChem CID134895590
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]propan-2-amine
SMILESCC(C)NCC1=CCC2CC1C2(C)C
InChIInChI=1S/C13H23N/c1-9(2)14-8-10-5-6-11-7-12(10)13(11,3)4/h5,9,11-12,14H,6-8H2,1-4H3
InChIKeyDTXDWFWQILFAJP-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
N-Ethyl-5-(1-(ethylamino)-1-methylethyl)-2-methyl-2-cyclohexen-1-amine
CID 375999
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453705
4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohex-3-en-1-amine
CID 165043347
4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-amine
CID 245838
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine
CID 73110433
N-{[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}ethane-1,2-diamine
CID 129747820
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]ethanamine
CID 129995660
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclohexanamine
CID 134895693
(6R)-6-cyclohexyl-4-methyl-6-(2-methylprop-2-enyl)-2,5-dihydro-1H-pyridine
CID 135056911
(1S)-4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohex-3-en-1-amine
CID 165045050

Frequently Asked Questions

What is the IUPAC name of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]propan-2-amine?
The IUPAC name of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]propan-2-amine (CID 134895590) is N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]propan-2-amine?
The canonical SMILES for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]propan-2-amine is CC(C)NCC1=CCC2CC1C2(C)C.
What is the InChIKey of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]propan-2-amine?
The InChIKey is DTXDWFWQILFAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-9(2)14-8-10-5-6-11-7-12(10)13(11,3)4/h5,9,11-12,14H,6-8H2,1-4H3.
What are the key properties of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]propan-2-amine?
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]propan-2-amine has a molecular weight of 193.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]propan-2-amine is sourced from PubChem (CID 134895590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).