N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C18H23N — CID 43225200

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC1=CC2CC1CC2CNC1CCCc2ccccc21
InChIInChI=1S/C18H23N/c1-2-6-17-14(4-1)5-3-7-18(17)19-12-16-11-13-8-9-15(16)10-13/h1-2,4,6,8-9,13,15-16,18-19H,3,5,7,10-12H2
InChIKeyAOXJLVWMPGJOOK-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.87
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 43225200) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID43225200
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC1=CC2CC1CC2CNC1CCCc2ccccc21
InChIInChI=1S/C18H23N/c1-2-6-17-14(4-1)5-3-7-18(17)19-12-16-11-13-8-9-15(16)10-13/h1-2,4,6,8-9,13,15-16,18-19H,3,5,7,10-12H2
InChIKeyAOXJLVWMPGJOOK-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.87
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

N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 143330144
N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54507059
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine
CID 130608680
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878
4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]cyclohexan-1-ol
CID 106126377
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102904359
N-(thian-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 80595613
N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3755839
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 43225200) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is C1=CC2CC1CC2CNC1CCCc2ccccc21.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is AOXJLVWMPGJOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-2-6-17-14(4-1)5-3-7-18(17)19-12-16-11-13-8-9-15(16)10-13/h1-2,4,6,8-9,13,15-16,18-19H,3,5,7,10-12H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.87, 3 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)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43225200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).