(1R,2S)-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C16H21N — CID 22864481

IUPAC(1R,2S)-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC=CCN[C@H]1CCc2ccccc2[C@H]1CC=C
InChIInChI=1S/C16H21N/c1-3-7-15-14-9-6-5-8-13(14)10-11-16(15)17-12-4-2/h3-6,8-9,15-17H,1-2,7,10-12H2/t15-,16+/m1/s1
InChIKeyJONSUOPOTLJXPM-CVEARBPZSA-N
MW227.35 g/mol
LogP3.44
Rot. Bonds5

About (1R,2S)-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine

(1R,2S)-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 22864481) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is (1R,2S)-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(1R,2S)-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID22864481
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name(1R,2S)-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC=CCN[C@H]1CCc2ccccc2[C@H]1CC=C
InChIInChI=1S/C16H21N/c1-3-7-15-14-9-6-5-8-13(14)10-11-16(15)17-12-4-2/h3-6,8-9,15-17H,1-2,7,10-12H2/t15-,16+/m1/s1
InChIKeyJONSUOPOTLJXPM-CVEARBPZSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.44
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-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15645399
(1S,2S)-8-methoxy-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 67657910
N-prop-2-enyl-9,10-dihydroanthracen-9-amine
CID 62919908
[8-methoxy-2-(prop-2-enylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 15645423
(1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 20714563
(1S,2R)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 70232451
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)prop-2-en-1-amine
CID 15232789
(2S,3R)-8-methoxy-N,3-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 20714579
(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 163236306
(2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 129383765
2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 168728590

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (1R,2S)-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 22864481) is (1R,2S)-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (1R,2S)-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (1R,2S)-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine is C=CCN[C@H]1CCc2ccccc2[C@H]1CC=C.
What is the InChIKey of (1R,2S)-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is JONSUOPOTLJXPM-CVEARBPZSA-N. The full InChI is InChI=1S/C16H21N/c1-3-7-15-14-9-6-5-8-13(14)10-11-16(15)17-12-4-2/h3-6,8-9,15-17H,1-2,7,10-12H2/t15-,16+/m1/s1.
What are the key properties of (1R,2S)-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
(1R,2S)-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 227.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 22864481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).