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

C16H23N — CID 10398940

IUPAC(1S,2R)-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC=CC[C@H]1c2ccccc2CC[C@H]1NCCC
InChIInChI=1S/C16H23N/c1-3-7-15-14-9-6-5-8-13(14)10-11-16(15)17-12-4-2/h3,5-6,8-9,15-17H,1,4,7,10-12H2,2H3/t15-,16+/m0/s1
InChIKeyBZQXDYYMAHDTFU-JKSUJKDBSA-N
MW229.37 g/mol
LogP3.66
Rot. Bonds5

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

(1S,2R)-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10398940) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (1S,2R)-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(1S,2R)-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10398940
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(1S,2R)-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC=CC[C@H]1c2ccccc2CC[C@H]1NCCC
InChIInChI=1S/C16H23N/c1-3-7-15-14-9-6-5-8-13(14)10-11-16(15)17-12-4-2/h3,5-6,8-9,15-17H,1,4,7,10-12H2,2H3/t15-,16+/m0/s1
InChIKeyBZQXDYYMAHDTFU-JKSUJKDBSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (1S,2R)-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10398940) is (1S,2R)-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (1S,2R)-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (1S,2R)-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is C=CC[C@H]1c2ccccc2CC[C@H]1NCCC.
What is the InChIKey of (1S,2R)-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is BZQXDYYMAHDTFU-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H23N/c1-3-7-15-14-9-6-5-8-13(14)10-11-16(15)17-12-4-2/h3,5-6,8-9,15-17H,1,4,7,10-12H2,2H3/t15-,16+/m0/s1.
What are the key properties of (1S,2R)-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(1S,2R)-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 229.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10398940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).