1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine

C14H23N — CID 115685818

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine
SMILESCC1(CNCC2CC3C=CC2C3)CCC1
InChIInChI=1S/C14H23N/c1-14(5-2-6-14)10-15-9-13-8-11-3-4-12(13)7-11/h3-4,11-13,15H,2,5-10H2,1H3
InChIKeyAYKVJMSGVCCMCO-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.98
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine (PubChem CID 115685818) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine
PubChem CID115685818
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine
SMILESCC1(CNCC2CC3C=CC2C3)CCC1
InChIInChI=1S/C14H23N/c1-14(5-2-6-14)10-15-9-13-8-11-3-4-12(13)7-11/h3-4,11-13,15H,2,5-10H2,1H3
InChIKeyAYKVJMSGVCCMCO-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
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

1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol
CID 65106975
[1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexyl]methanol
CID 112697777
2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 98042869
2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 7236700
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanol
CID 3154449
N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide
CID 3598178
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyloxolan-3-amine
CID 115768843
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol
CID 66176724
4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline
CID 43225497
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol
CID 66178881
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine
CID 124527653

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine (CID 115685818) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine is CC1(CNCC2CC3C=CC2C3)CCC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The InChIKey is AYKVJMSGVCCMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-14(5-2-6-14)10-15-9-13-8-11-3-4-12(13)7-11/h3-4,11-13,15H,2,5-10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine has a molecular weight of 205.34 g/mol, XLogP of 2.98, 4 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]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine is sourced from PubChem (CID 115685818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).