deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine

C12H15N — CID 158157747

IUPACdeuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
SMILESC[C@@H](N)c1cccc2ccccc12.[H][2H]
InChIInChI=1S/C12H13N.H2/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;/h2-9H,13H2,1H3;1H/t9-;/m1./s1/i;1+1
InChIKeyFVWYBQVRSUZKGA-PDMUTADDSA-N
MW174.27 g/mol
LogP3.11
Rot. Bonds1

About deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine

deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine (PubChem CID 158157747) has the molecular formula C12H15N and a molecular weight of 174.27 g/mol. Its IUPAC name is deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Namedeuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
PubChem CID158157747
Molecular FormulaC12H15N
Molecular Weight174.27 g/mol
Exact Mass174.13
IUPAC Namedeuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
SMILESC[C@@H](N)c1cccc2ccccc12.[H][2H]
InChIInChI=1S/C12H13N.H2/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;/h2-9H,13H2,1H3;1H/t9-;/m1./s1/i;1+1
InChIKeyFVWYBQVRSUZKGA-PDMUTADDSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine
CID 158376535
(1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine
CID 22806370
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine
CID 116948174
3-naphthalen-1-ylbutane-1,2-diamine
CID 142736205
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
CID 174906138
CID 174906138
N'-methyl-1-naphthalen-1-ylmethanediamine
CID 116939404
(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
CID 171212055
5-[(1R)-1-aminoethyl]naphthalen-1-ol
CID 131150444
potassium [(1S)-1-naphthalen-1-ylethyl]azanide
CID 100993742

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine?
The IUPAC name of deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine (CID 158157747) is deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine.
What is the SMILES notation for deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine?
The canonical SMILES for deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine is C[C@@H](N)c1cccc2ccccc12.[H][2H].
What is the InChIKey of deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine?
The InChIKey is FVWYBQVRSUZKGA-PDMUTADDSA-N. The full InChI is InChI=1S/C12H13N.H2/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;/h2-9H,13H2,1H3;1H/t9-;/m1./s1/i;1+1.
What are the key properties of deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine?
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine has a molecular weight of 174.27 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 158157747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).