(1R,3R)-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-5-amine

C15H20N2 — CID 693130

IUPAC(1R,3R)-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESC=CC[C@@H]1Cc2c(N)cccc2[C@@H](CC=C)N1
InChIInChI=1S/C15H20N2/c1-3-6-11-10-13-12(8-5-9-14(13)16)15(17-11)7-4-2/h3-5,8-9,11,15,17H,1-2,6-7,10,16H2/t11-,15-/m1/s1
InChIKeyBTXLHLDPUHBVCS-IAQYHMDHSA-N
MW228.34 g/mol
LogP2.98
Rot. Bonds4

About (1R,3R)-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-5-amine

(1R,3R)-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 693130) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (1R,3R)-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound Name(1R,3R)-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID693130
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(1R,3R)-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESC=CC[C@@H]1Cc2c(N)cccc2[C@@H](CC=C)N1
InChIInChI=1S/C15H20N2/c1-3-6-11-10-13-12(8-5-9-14(13)16)15(17-11)7-4-2/h3-5,8-9,11,15,17H,1-2,6-7,10,16H2/t11-,15-/m1/s1
InChIKeyBTXLHLDPUHBVCS-IAQYHMDHSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Nomifensine
CID 4528
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
1-(1-Naphthyl)piperazine
CID 1342
1,2,3,4-Tetrahydroquinoline
CID 69460
1-(1-Naphthyl)piperazine hydrochloride
CID 2737391
(S)-Nomifensine
CID 55993
(+)-Nomifensine
CID 12884652
1-(2,3-Xylyl)piperazine
CID 70541
1-(3,4-Xylyl)piperazine
CID 2723782
1,2,3,4-Tetrahydro-4-methylquinoline
CID 86854
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of (1R,3R)-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 693130) is (1R,3R)-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for (1R,3R)-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for (1R,3R)-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-5-amine is C=CC[C@@H]1Cc2c(N)cccc2[C@@H](CC=C)N1.
What is the InChIKey of (1R,3R)-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is BTXLHLDPUHBVCS-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H20N2/c1-3-6-11-10-13-12(8-5-9-14(13)16)15(17-11)7-4-2/h3-5,8-9,11,15,17H,1-2,6-7,10,16H2/t11-,15-/m1/s1.
What are the key properties of (1R,3R)-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
(1R,3R)-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 228.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 693130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).