N-(2-(18F)fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine

C15H18FN — CID 53472295

IUPACN-(2-(18F)fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC#CCN(CC[18F])C1CCCc2ccccc21
InChIInChI=1S/C15H18FN/c1-2-11-17(12-10-16)15-9-5-7-13-6-3-4-8-14(13)15/h1,3-4,6,8,15H,5,7,9-12H2/i16-1
InChIKeyWWWUWYUKAIYNQZ-GKTGUEEDSA-N
MW230.32 g/mol
LogP2.97
Rot. Bonds4

About N-(2-(18F)fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-(2-(18F)fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 53472295) has the molecular formula C15H18FN and a molecular weight of 230.32 g/mol. Its IUPAC name is N-(2-(18F)fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(2-(18F)fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID53472295
Molecular FormulaC15H18FN
Molecular Weight230.32 g/mol
Exact Mass230.14
IUPAC NameN-(2-(18F)fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC#CCN(CC[18F])C1CCCc2ccccc21
InChIInChI=1S/C15H18FN/c1-2-11-17(12-10-16)15-9-5-7-13-6-3-4-8-14(13)15/h1,3-4,6,8,15H,5,7,9-12H2/i16-1
InChIKeyWWWUWYUKAIYNQZ-GKTGUEEDSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 53472248
N,N-bis(prop-2-ynyl)-2,3-dihydro-1H-inden-1-amine;methanesulfonate
CID 175678918
2-(2,3-dihydro-1H-inden-1-yl)-N,3-bis(2-fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 87553168
N-(cyclohexylmethyl)-2-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]acetamide
CID 55841446
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801
N-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 55735190
N-(4-acetylphenyl)-3-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]propanamide
CID 56524925
N-(2-cyanoethyl)-2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-prop-2-ynylamino]-N-methylacetamide
CID 94588890
N-(2,3-dihydro-1H-inden-1-yl)-1,1,1-trifluoro-N-prop-2-ynylmethanesulfonamide
CID 155124468
[(1R)-2,3-dihydro-1H-inden-1-yl]-prop-2-ynylsulfamic acid
CID 125404549
N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide
CID 156963728

Frequently Asked Questions

What is the IUPAC name of N-(2-(18F)fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(2-(18F)fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 53472295) is N-(2-(18F)fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(2-(18F)fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(2-(18F)fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine is C#CCN(CC[18F])C1CCCc2ccccc21.
What is the InChIKey of N-(2-(18F)fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WWWUWYUKAIYNQZ-GKTGUEEDSA-N. The full InChI is InChI=1S/C15H18FN/c1-2-11-17(12-10-16)15-9-5-7-13-6-3-4-8-14(13)15/h1,3-4,6,8,15H,5,7,9-12H2/i16-1.
What are the key properties of N-(2-(18F)fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(2-(18F)fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 230.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-(18F)fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 53472295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).