molecular hydrogen;2-propoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalen-7-amine

C14H19NO — CID 143725534

IUPACmolecular hydrogen;2-propoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalen-7-amine
SMILESCCCOC1=c2ccccc2=C(N)C2CC12.[H][H]
InChIInChI=1S/C14H17NO.H2/c1-2-7-16-14-10-6-4-3-5-9(10)13(15)11-8-12(11)14;/h3-6,11-12H,2,7-8,15H2,1H3;1H
InChIKeyAGYQBHDXJIRHGI-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.18
Rot. Bonds3

About molecular hydrogen;2-propoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalen-7-amine

molecular hydrogen;2-propoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalen-7-amine (PubChem CID 143725534) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is molecular hydrogen;2-propoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalen-7-amine.

Molecular Properties

Compound Namemolecular hydrogen;2-propoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalen-7-amine
PubChem CID143725534
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Namemolecular hydrogen;2-propoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalen-7-amine
SMILESCCCOC1=c2ccccc2=C(N)C2CC12.[H][H]
InChIInChI=1S/C14H17NO.H2/c1-2-7-16-14-10-6-4-3-5-9(10)13(15)11-8-12(11)14;/h3-6,11-12H,2,7-8,15H2,1H3;1H
InChIKeyAGYQBHDXJIRHGI-UHFFFAOYSA-N
XLogP1.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone
CID 43828941
2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine
CID 104659071
4-methyl-2-propoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420176
[(1S,2R)-2-propoxycyclopropyl]methylbenzene
CID 100914169
2-[2-[cyclopropyl(methyl)amino]ethoxy]-6-propoxyaniline
CID 102739820
azane;propoxybenzene
CID 66667480
CID 161224902
CID 161224902
4-(3,5-dimethylcyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-amine
CID 80877748
1-benzyl-3-propoxy-1H-isoindole
CID 71160743
2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid
CID 104663378
4-ethyl-2-(2-propoxyphenyl)piperidine
CID 104662519
N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine
CID 104662798

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2-propoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalen-7-amine?
The IUPAC name of molecular hydrogen;2-propoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalen-7-amine (CID 143725534) is molecular hydrogen;2-propoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalen-7-amine.
What is the SMILES notation for molecular hydrogen;2-propoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalen-7-amine?
The canonical SMILES for molecular hydrogen;2-propoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalen-7-amine is CCCOC1=c2ccccc2=C(N)C2CC12.[H][H].
What is the InChIKey of molecular hydrogen;2-propoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalen-7-amine?
The InChIKey is AGYQBHDXJIRHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.H2/c1-2-7-16-14-10-6-4-3-5-9(10)13(15)11-8-12(11)14;/h3-6,11-12H,2,7-8,15H2,1H3;1H.
What are the key properties of molecular hydrogen;2-propoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalen-7-amine?
molecular hydrogen;2-propoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalen-7-amine has a molecular weight of 217.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2-propoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalen-7-amine is sourced from PubChem (CID 143725534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).